N-(3,4-dimethylphenyl)-N-[4-[(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide

C24H26N4O2S3 — CID 41032769

About N-(3,4-dimethylphenyl)-N-[4-[(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide

N-(3,4-dimethylphenyl)-N-[4-[(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 41032769) has the molecular formula C24H26N4O2S3 and a molecular weight of 498.70 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N-[4-[(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-(3,4-dimethylphenyl)-N-[4-[(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
• PubChem CID: 41032769
• Molecular Formula: C24H26N4O2S3
• Molecular Weight: 498.70 g/mol
• Exact Mass: 498.12
• IUPAC Name: N-(3,4-dimethylphenyl)-N-[4-[(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
• SMILES: CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)nc2sc(C)c(C)c2c1=O
• InChI: InChI=1S/C24H26N4O2S3/c1-7-27-22(30)20-15(4)16(5)33-21(20)26-23(27)31-11-18-12-32-24(25-18)28(17(6)29)19-9-8-13(2)14(3)10-19/h8-10,12H,7,11H2,1-6H3
• InChIKey: VLQZACLQXZUPIF-UHFFFAOYSA-N
• XLogP: 6.14
• TPSA: 68.09 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.70
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N-[4-[(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?

The IUPAC name of N-(3,4-dimethylphenyl)-N-[4-[(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide (CID 41032769) is N-(3,4-dimethylphenyl)-N-[4-[(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for N-(3,4-dimethylphenyl)-N-[4-[(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for N-(3,4-dimethylphenyl)-N-[4-[(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide is CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)nc2sc(C)c(C)c2c1=O.

What is the InChIKey of N-(3,4-dimethylphenyl)-N-[4-[(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?

The InChIKey is VLQZACLQXZUPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S3/c1-7-27-22(30)20-15(4)16(5)33-21(20)26-23(27)31-11-18-12-32-24(25-18)28(17(6)29)19-9-8-13(2)14(3)10-19/h8-10,12H,7,11H2,1-6H3.

What are the key properties of N-(3,4-dimethylphenyl)-N-[4-[(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?

N-(3,4-dimethylphenyl)-N-[4-[(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 498.70 g/mol, XLogP of 6.14, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-dimethylphenyl)-N-[4-[(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 41032769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).