bis(5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide);4-piperidin-1-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;4-(prop-1-en-2-ylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C100H84N20O12S9 — CID 163905487

IUPACbis(5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide);4-piperidin-1-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;4-(prop-1-en-2-ylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESC=C(C)Nc1ccc(C(=O)Nc2nc(-c3cccnc3)cs2)cc1.Cc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)s1.Cc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)s1.O=C(Nc1nc(-c2ccccn2)cs1)C1COc2ccccc2O1.O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.O=C(Nc1nc(-c2ccccn2)cs1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H20N4O3S2.C18H16N4OS.2C17H13N3O3S.2C14H11N3OS2/c25-19(23-20-22-18(14-28-20)17-6-2-3-11-21-17)15-7-9-16(10-8-15)29(26,27)24-12-4-1-5-13-24;1-12(2)20-15-7-5-13(6-8-15)17(23)22-18-21-16(11-24-18)14-4-3-9-19-10-14;21-16(15-9-22-13-6-1-2-7-14(13)23-15)20-17-19-12(10-24-17)11-5-3-4-8-18-11;21-16(11-4-5-14-15(9-11)23-8-7-22-14)20-17-19-13(10-24-17)12-3-1-2-6-18-12;2*1-9-5-6-12(20-9)13(18)17-14-16-11(8-19-14)10-4-2-3-7-15-10/h2-3,6-11,14H,1,4-5,12-13H2,(H,22,23,25);3-11,20H,1H2,2H3,(H,21,22,23);1-8,10,15H,9H2,(H,19,20,21);1-6,9-10H,7-8H2,(H,19,20,21);2*2-8H,1H3,(H,16,17,18)
InChIKeyQNNLVZNKOGDMLQ-UHFFFAOYSA-N
MW2046.50 g/mol
LogP21.90
Rot. Bonds22

About bis(5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide);4-piperidin-1-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;4-(prop-1-en-2-ylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

bis(5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide);4-piperidin-1-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;4-(prop-1-en-2-ylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 163905487) has the molecular formula C100H84N20O12S9 and a molecular weight of 2046.50 g/mol. Its IUPAC name is bis(5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide);4-piperidin-1-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;4-(prop-1-en-2-ylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound Namebis(5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide);4-piperidin-1-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;4-(prop-1-en-2-ylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID163905487
Molecular FormulaC100H84N20O12S9
Molecular Weight2046.50 g/mol
Exact Mass2044.41
IUPAC Namebis(5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide);4-piperidin-1-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;4-(prop-1-en-2-ylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESC=C(C)Nc1ccc(C(=O)Nc2nc(-c3cccnc3)cs2)cc1.Cc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)s1.Cc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)s1.O=C(Nc1nc(-c2ccccn2)cs1)C1COc2ccccc2O1.O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.O=C(Nc1nc(-c2ccccn2)cs1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H20N4O3S2.C18H16N4OS.2C17H13N3O3S.2C14H11N3OS2/c25-19(23-20-22-18(14-28-20)17-6-2-3-11-21-17)15-7-9-16(10-8-15)29(26,27)24-12-4-1-5-13-24;1-12(2)20-15-7-5-13(6-8-15)17(23)22-18-21-16(11-24-18)14-4-3-9-19-10-14;21-16(15-9-22-13-6-1-2-7-14(13)23-15)20-17-19-12(10-24-17)11-5-3-4-8-18-11;21-16(11-4-5-14-15(9-11)23-8-7-22-14)20-17-19-13(10-24-17)12-3-1-2-6-18-12;2*1-9-5-6-12(20-9)13(18)17-14-16-11(8-19-14)10-4-2-3-7-15-10/h2-3,6-11,14H,1,4-5,12-13H2,(H,22,23,25);3-11,20H,1H2,2H3,(H,21,22,23);1-8,10,15H,9H2,(H,19,20,21);1-6,9-10H,7-8H2,(H,19,20,21);2*2-8H,1H3,(H,16,17,18)
InChIKeyQNNLVZNKOGDMLQ-UHFFFAOYSA-N
XLogP21.90
TPSA415.61 Ų
H-Bond Donors7
H-Bond Acceptors33
Rotatable Bonds22
Heavy Atoms141
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002046.50
LogP ≤ 521.90
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1033

Analyze bis(5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide);4-piperidin-1-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;4-(prop-1-en-2-ylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide);4-piperidin-1-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;4-(prop-1-en-2-ylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of bis(5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide);4-piperidin-1-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;4-(prop-1-en-2-ylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 163905487) is bis(5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide);4-piperidin-1-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;4-(prop-1-en-2-ylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for bis(5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide);4-piperidin-1-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;4-(prop-1-en-2-ylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for bis(5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide);4-piperidin-1-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;4-(prop-1-en-2-ylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is C=C(C)Nc1ccc(C(=O)Nc2nc(-c3cccnc3)cs2)cc1.Cc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)s1.Cc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)s1.O=C(Nc1nc(-c2ccccn2)cs1)C1COc2ccccc2O1.O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.O=C(Nc1nc(-c2ccccn2)cs1)c1ccc2c(c1)OCCO2.
What is the InChIKey of bis(5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide);4-piperidin-1-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;4-(prop-1-en-2-ylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is QNNLVZNKOGDMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S2.C18H16N4OS.2C17H13N3O3S.2C14H11N3OS2/c25-19(23-20-22-18(14-28-20)17-6-2-3-11-21-17)15-7-9-16(10-8-15)29(26,27)24-12-4-1-5-13-24;1-12(2)20-15-7-5-13(6-8-15)17(23)22-18-21-16(11-24-18)14-4-3-9-19-10-14;21-16(15-9-22-13-6-1-2-7-14(13)23-15)20-17-19-12(10-24-17)11-5-3-4-8-18-11;21-16(11-4-5-14-15(9-11)23-8-7-22-14)20-17-19-13(10-24-17)12-3-1-2-6-18-12;2*1-9-5-6-12(20-9)13(18)17-14-16-11(8-19-14)10-4-2-3-7-15-10/h2-3,6-11,14H,1,4-5,12-13H2,(H,22,23,25);3-11,20H,1H2,2H3,(H,21,22,23);1-8,10,15H,9H2,(H,19,20,21);1-6,9-10H,7-8H2,(H,19,20,21);2*2-8H,1H3,(H,16,17,18).
What are the key properties of bis(5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide);4-piperidin-1-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;4-(prop-1-en-2-ylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
bis(5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide);4-piperidin-1-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;4-(prop-1-en-2-ylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 2046.50 g/mol, XLogP of 21.90, 22 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide);4-piperidin-1-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;4-(prop-1-en-2-ylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 163905487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).