N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide;N-[5-[[3-[[5-[[2-(4-methyl-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]methyl]cyclobutyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide

C46H48N14O4S6 — CID 144630605

About N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide;N-[5-[[3-[[5-[[2-(4-methyl-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]methyl]cyclobutyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide

N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide;N-[5-[[3-[[5-[[2-(4-methyl-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]methyl]cyclobutyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide (PubChem CID 144630605) has the molecular formula C46H48N14O4S6 and a molecular weight of 1053.39 g/mol. Its IUPAC name is N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide;N-[5-[[3-[[5-[[2-(4-methyl-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]methyl]cyclobutyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

• Compound Name: N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide;N-[5-[[3-[[5-[[2-(4-methyl-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]methyl]cyclobutyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide
• PubChem CID: 144630605
• Molecular Formula: C46H48N14O4S6
• Molecular Weight: 1053.39 g/mol
• Exact Mass: 1052.23
• IUPAC Name: N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide;N-[5-[[3-[[5-[[2-(4-methyl-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]methyl]cyclobutyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide
• SMILES: Cc1ccnc(CC(=O)Nc2nnc(CC3CC(Cc4nnc(NC(=O)Cc5ccccn5)s4)C3)s2)c1.Cc1nnc(NC(=O)Cc2cccs2)s1.O=C(Cc1cccs1)Nc1nnc(CC2CC2)s1
• InChI: InChI=1S/C25H26N8O2S2.C12H13N3OS2.C9H9N3OS2/c1-15-5-7-27-19(8-15)14-21(35)29-25-33-31-23(37-25)12-17-9-16(10-17)11-22-30-32-24(36-22)28-20(34)13-18-4-2-3-6-26-18;16-10(7-9-2-1-5-17-9)13-12-15-14-11(18-12)6-8-3-4-8;1-6-11-12-9(15-6)10-8(13)5-7-3-2-4-14-7/h2-8,16-17H,9-14H2,1H3,(H,28,32,34)(H,29,33,35);1-2,5,8H,3-4,6-7H2,(H,13,15,16);2-4H,5H2,1H3,(H,10,12,13)
• InChIKey: GFVAGWCOQSWHIB-UHFFFAOYSA-N
• XLogP: 8.48
• TPSA: 245.30 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1053.39
LogP ≤ 5	8.48
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide;N-[5-[[3-[[5-[[2-(4-methyl-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]methyl]cyclobutyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide?

The IUPAC name of N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide;N-[5-[[3-[[5-[[2-(4-methyl-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]methyl]cyclobutyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide (CID 144630605) is N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide;N-[5-[[3-[[5-[[2-(4-methyl-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]methyl]cyclobutyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide.

What is the SMILES notation for N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide;N-[5-[[3-[[5-[[2-(4-methyl-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]methyl]cyclobutyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide?

The canonical SMILES for N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide;N-[5-[[3-[[5-[[2-(4-methyl-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]methyl]cyclobutyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide is Cc1ccnc(CC(=O)Nc2nnc(CC3CC(Cc4nnc(NC(=O)Cc5ccccn5)s4)C3)s2)c1.Cc1nnc(NC(=O)Cc2cccs2)s1.O=C(Cc1cccs1)Nc1nnc(CC2CC2)s1.

What is the InChIKey of N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide;N-[5-[[3-[[5-[[2-(4-methyl-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]methyl]cyclobutyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide?

The InChIKey is GFVAGWCOQSWHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O2S2.C12H13N3OS2.C9H9N3OS2/c1-15-5-7-27-19(8-15)14-21(35)29-25-33-31-23(37-25)12-17-9-16(10-17)11-22-30-32-24(36-22)28-20(34)13-18-4-2-3-6-26-18;16-10(7-9-2-1-5-17-9)13-12-15-14-11(18-12)6-8-3-4-8;1-6-11-12-9(15-6)10-8(13)5-7-3-2-4-14-7/h2-8,16-17H,9-14H2,1H3,(H,28,32,34)(H,29,33,35);1-2,5,8H,3-4,6-7H2,(H,13,15,16);2-4H,5H2,1H3,(H,10,12,13).

What are the key properties of N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide;N-[5-[[3-[[5-[[2-(4-methyl-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]methyl]cyclobutyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide?

N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide;N-[5-[[3-[[5-[[2-(4-methyl-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]methyl]cyclobutyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide has a molecular weight of 1053.39 g/mol, XLogP of 8.48, 18 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide;N-[5-[[3-[[5-[[2-(4-methyl-2-pyridinyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]methyl]cyclobutyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 144630605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).