2-(dimethylamino)ethyl 3-(1,2,3,4-tetrahydropyridin-4-yl)-5-[4-(1,3-thiazole-4-carbonylamino)phenyl]thiophene-2-carboxylate

C24H26N4O3S2 — CID 67976735

About 2-(dimethylamino)ethyl 3-(1,2,3,4-tetrahydropyridin-4-yl)-5-[4-(1,3-thiazole-4-carbonylamino)phenyl]thiophene-2-carboxylate

2-(dimethylamino)ethyl 3-(1,2,3,4-tetrahydropyridin-4-yl)-5-[4-(1,3-thiazole-4-carbonylamino)phenyl]thiophene-2-carboxylate (PubChem CID 67976735) has the molecular formula C24H26N4O3S2 and a molecular weight of 482.63 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 3-(1,2,3,4-tetrahydropyridin-4-yl)-5-[4-(1,3-thiazole-4-carbonylamino)phenyl]thiophene-2-carboxylate.

Molecular Properties

• Compound Name: 2-(dimethylamino)ethyl 3-(1,2,3,4-tetrahydropyridin-4-yl)-5-[4-(1,3-thiazole-4-carbonylamino)phenyl]thiophene-2-carboxylate
• PubChem CID: 67976735
• Molecular Formula: C24H26N4O3S2
• Molecular Weight: 482.63 g/mol
• Exact Mass: 482.14
• IUPAC Name: 2-(dimethylamino)ethyl 3-(1,2,3,4-tetrahydropyridin-4-yl)-5-[4-(1,3-thiazole-4-carbonylamino)phenyl]thiophene-2-carboxylate
• SMILES: CN(C)CCOC(=O)c1sc(-c2ccc(NC(=O)c3cscn3)cc2)cc1C1C=CNCC1
• InChI: InChI=1S/C24H26N4O3S2/c1-28(2)11-12-31-24(30)22-19(16-7-9-25-10-8-16)13-21(33-22)17-3-5-18(6-4-17)27-23(29)20-14-32-15-26-20/h3-7,9,13-16,25H,8,10-12H2,1-2H3,(H,27,29)
• InChIKey: SJWVNJVQNREDNN-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 83.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.63
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 3-(1,2,3,4-tetrahydropyridin-4-yl)-5-[4-(1,3-thiazole-4-carbonylamino)phenyl]thiophene-2-carboxylate?

The IUPAC name of 2-(dimethylamino)ethyl 3-(1,2,3,4-tetrahydropyridin-4-yl)-5-[4-(1,3-thiazole-4-carbonylamino)phenyl]thiophene-2-carboxylate (CID 67976735) is 2-(dimethylamino)ethyl 3-(1,2,3,4-tetrahydropyridin-4-yl)-5-[4-(1,3-thiazole-4-carbonylamino)phenyl]thiophene-2-carboxylate.

What is the SMILES notation for 2-(dimethylamino)ethyl 3-(1,2,3,4-tetrahydropyridin-4-yl)-5-[4-(1,3-thiazole-4-carbonylamino)phenyl]thiophene-2-carboxylate?

The canonical SMILES for 2-(dimethylamino)ethyl 3-(1,2,3,4-tetrahydropyridin-4-yl)-5-[4-(1,3-thiazole-4-carbonylamino)phenyl]thiophene-2-carboxylate is CN(C)CCOC(=O)c1sc(-c2ccc(NC(=O)c3cscn3)cc2)cc1C1C=CNCC1.

What is the InChIKey of 2-(dimethylamino)ethyl 3-(1,2,3,4-tetrahydropyridin-4-yl)-5-[4-(1,3-thiazole-4-carbonylamino)phenyl]thiophene-2-carboxylate?

The InChIKey is SJWVNJVQNREDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S2/c1-28(2)11-12-31-24(30)22-19(16-7-9-25-10-8-16)13-21(33-22)17-3-5-18(6-4-17)27-23(29)20-14-32-15-26-20/h3-7,9,13-16,25H,8,10-12H2,1-2H3,(H,27,29).

What are the key properties of 2-(dimethylamino)ethyl 3-(1,2,3,4-tetrahydropyridin-4-yl)-5-[4-(1,3-thiazole-4-carbonylamino)phenyl]thiophene-2-carboxylate?

2-(dimethylamino)ethyl 3-(1,2,3,4-tetrahydropyridin-4-yl)-5-[4-(1,3-thiazole-4-carbonylamino)phenyl]thiophene-2-carboxylate has a molecular weight of 482.63 g/mol, XLogP of 4.43, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)ethyl 3-(1,2,3,4-tetrahydropyridin-4-yl)-5-[4-(1,3-thiazole-4-carbonylamino)phenyl]thiophene-2-carboxylate is sourced from PubChem (CID 67976735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).