2-methyl-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1,3-thiazole-4-carboxamide

C13H12N4O2S2 — CID 91632356

IUPAC2-methyl-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCCn2cnc3ccsc3c2=O)cs1
InChIInChI=1S/C13H12N4O2S2/c1-8-16-10(6-21-8)12(18)14-3-4-17-7-15-9-2-5-20-11(9)13(17)19/h2,5-7H,3-4H2,1H3,(H,14,18)
InChIKeyDLKQVGFKSHLYEV-UHFFFAOYSA-N
MW320.40 g/mol
LogP1.65
Rot. Bonds4

About 2-methyl-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1,3-thiazole-4-carboxamide

2-methyl-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 91632356) has the molecular formula C13H12N4O2S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID91632356
Molecular FormulaC13H12N4O2S2
Molecular Weight320.40 g/mol
Exact Mass320.04
IUPAC Name2-methyl-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCCn2cnc3ccsc3c2=O)cs1
InChIInChI=1S/C13H12N4O2S2/c1-8-16-10(6-21-8)12(18)14-3-4-17-7-15-9-2-5-20-11(9)13(17)19/h2,5-7H,3-4H2,1H3,(H,14,18)
InChIKeyDLKQVGFKSHLYEV-UHFFFAOYSA-N
XLogP1.65
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 91632356) is 2-methyl-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCCn2cnc3ccsc3c2=O)cs1.
What is the InChIKey of 2-methyl-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is DLKQVGFKSHLYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S2/c1-8-16-10(6-21-8)12(18)14-3-4-17-7-15-9-2-5-20-11(9)13(17)19/h2,5-7H,3-4H2,1H3,(H,14,18).
What are the key properties of 2-methyl-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
2-methyl-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 91632356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).