4-[(2-chloro-1-methylpyrrole-3-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid;4-[(1-methylimidazole-4-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid

C103H93ClN30O18S8 — CID 158901888

About 4-[(2-chloro-1-methylpyrrole-3-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid;4-[(1-methylimidazole-4-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid

4-[(2-chloro-1-methylpyrrole-3-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid;4-[(1-methylimidazole-4-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid (PubChem CID 158901888) has the molecular formula C103H93ClN30O18S8 and a molecular weight of 2331.06 g/mol. Its IUPAC name is 4-[(2-chloro-1-methylpyrrole-3-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid;4-[(1-methylimidazole-4-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid.

Molecular Properties

• Compound Name: 4-[(2-chloro-1-methylpyrrole-3-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid;4-[(1-methylimidazole-4-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid
• PubChem CID: 158901888
• Molecular Formula: C103H93ClN30O18S8
• Molecular Weight: 2331.06 g/mol
• Exact Mass: 2328.47
• IUPAC Name: 4-[(2-chloro-1-methylpyrrole-3-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid;4-[(1-methylimidazole-4-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid
• SMILES: Cc1cnsc1C(=O)Nc1csc(-c2cnc(N3CCCCC3)nc2C)c1C(=O)O.Cc1nc(N2CCCCC2)ncc1-c1scc(NC(=O)c2cnccn2)c1C(=O)O.Cc1nc(N2CCCCC2)ncc1-c1scc(NC(=O)c2cncnc2)c1C(=O)O.Cc1ncsc1C(=O)Nc1csc(-c2cnccn2)c1C(=O)O.Cn1ccc(C(=O)Nc2csc(-c3cnccn3)c2C(=O)O)c1Cl.Cn1cnc(C(=O)Nc2csc(-c3cnccn3)c2C(=O)O)c1
• InChI: InChI=1S/2C20H20N6O3S.C20H21N5O3S2.C15H11ClN4O3S.C14H11N5O3S.C14H10N4O3S2/c1-12-13(9-23-20(24-12)26-7-3-2-4-8-26)17-16(19(28)29)15(11-30-17)25-18(27)14-10-21-5-6-22-14;1-12-14(9-23-20(24-12)26-5-3-2-4-6-26)17-16(19(28)29)15(10-30-17)25-18(27)13-7-21-11-22-8-13;1-11-8-22-30-16(11)18(26)24-14-10-29-17(15(14)19(27)28)13-9-21-20(23-12(13)2)25-6-4-3-5-7-25;1-20-5-2-8(13(20)16)14(21)19-10-7-24-12(11(10)15(22)23)9-6-17-3-4-18-9;1-19-5-9(17-7-19)13(20)18-10-6-23-12(11(10)14(21)22)8-4-15-2-3-16-8;1-7-11(23-6-17-7)13(19)18-9-5-22-12(10(9)14(20)21)8-4-15-2-3-16-8/h5-6,9-11H,2-4,7-8H2,1H3,(H,25,27)(H,28,29);7-11H,2-6H2,1H3,(H,25,27)(H,28,29);8-10H,3-7H2,1-2H3,(H,24,26)(H,27,28);2-7H,1H3,(H,19,21)(H,22,23);2-7H,1H3,(H,18,20)(H,21,22);2-6H,1H3,(H,18,19)(H,20,21)
• InChIKey: JFNZQIBXRQEVLB-UHFFFAOYSA-N
• XLogP: 18.67
• TPSA: 662.89 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 44
• Rotatable Bonds: 27
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2331.06
LogP ≤ 5	18.67
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-1-methylpyrrole-3-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid;4-[(1-methylimidazole-4-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid?

The IUPAC name of 4-[(2-chloro-1-methylpyrrole-3-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid;4-[(1-methylimidazole-4-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid (CID 158901888) is 4-[(2-chloro-1-methylpyrrole-3-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid;4-[(1-methylimidazole-4-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid.

What is the SMILES notation for 4-[(2-chloro-1-methylpyrrole-3-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid;4-[(1-methylimidazole-4-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid?

The canonical SMILES for 4-[(2-chloro-1-methylpyrrole-3-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid;4-[(1-methylimidazole-4-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid is Cc1cnsc1C(=O)Nc1csc(-c2cnc(N3CCCCC3)nc2C)c1C(=O)O.Cc1nc(N2CCCCC2)ncc1-c1scc(NC(=O)c2cnccn2)c1C(=O)O.Cc1nc(N2CCCCC2)ncc1-c1scc(NC(=O)c2cncnc2)c1C(=O)O.Cc1ncsc1C(=O)Nc1csc(-c2cnccn2)c1C(=O)O.Cn1ccc(C(=O)Nc2csc(-c3cnccn3)c2C(=O)O)c1Cl.Cn1cnc(C(=O)Nc2csc(-c3cnccn3)c2C(=O)O)c1.

What is the InChIKey of 4-[(2-chloro-1-methylpyrrole-3-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid;4-[(1-methylimidazole-4-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid?

The InChIKey is JFNZQIBXRQEVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H20N6O3S.C20H21N5O3S2.C15H11ClN4O3S.C14H11N5O3S.C14H10N4O3S2/c1-12-13(9-23-20(24-12)26-7-3-2-4-8-26)17-16(19(28)29)15(11-30-17)25-18(27)14-10-21-5-6-22-14;1-12-14(9-23-20(24-12)26-5-3-2-4-6-26)17-16(19(28)29)15(10-30-17)25-18(27)13-7-21-11-22-8-13;1-11-8-22-30-16(11)18(26)24-14-10-29-17(15(14)19(27)28)13-9-21-20(23-12(13)2)25-6-4-3-5-7-25;1-20-5-2-8(13(20)16)14(21)19-10-7-24-12(11(10)15(22)23)9-6-17-3-4-18-9;1-19-5-9(17-7-19)13(20)18-10-6-23-12(11(10)14(21)22)8-4-15-2-3-16-8;1-7-11(23-6-17-7)13(19)18-9-5-22-12(10(9)14(20)21)8-4-15-2-3-16-8/h5-6,9-11H,2-4,7-8H2,1H3,(H,25,27)(H,28,29);7-11H,2-6H2,1H3,(H,25,27)(H,28,29);8-10H,3-7H2,1-2H3,(H,24,26)(H,27,28);2-7H,1H3,(H,19,21)(H,22,23);2-7H,1H3,(H,18,20)(H,21,22);2-6H,1H3,(H,18,19)(H,20,21).

What are the key properties of 4-[(2-chloro-1-methylpyrrole-3-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid;4-[(1-methylimidazole-4-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid?

4-[(2-chloro-1-methylpyrrole-3-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid;4-[(1-methylimidazole-4-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid has a molecular weight of 2331.06 g/mol, XLogP of 18.67, 27 rotatable bonds, 12 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2-chloro-1-methylpyrrole-3-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid;4-[(1-methylimidazole-4-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-4-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid;4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-2-pyrazin-2-ylthiophene-3-carboxylic acid is sourced from PubChem (CID 158901888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).