3-cyclopropyl-2-[2-(4-methylthiophen-2-yl)-2-oxoethyl]sulfanylthieno[3,2-d]pyrimidin-4-one

C16H14N2O2S3 — CID 130198244

IUPAC3-cyclopropyl-2-[2-(4-methylthiophen-2-yl)-2-oxoethyl]sulfanylthieno[3,2-d]pyrimidin-4-one
SMILESCc1csc(C(=O)CSc2nc3ccsc3c(=O)n2C2CC2)c1
InChIInChI=1S/C16H14N2O2S3/c1-9-6-13(22-7-9)12(19)8-23-16-17-11-4-5-21-14(11)15(20)18(16)10-2-3-10/h4-7,10H,2-3,8H2,1H3
InChIKeyNEICUEJKSMVNFR-UHFFFAOYSA-N
MW362.50 g/mol
LogP4.14
Rot. Bonds5

About 3-cyclopropyl-2-[2-(4-methylthiophen-2-yl)-2-oxoethyl]sulfanylthieno[3,2-d]pyrimidin-4-one

3-cyclopropyl-2-[2-(4-methylthiophen-2-yl)-2-oxoethyl]sulfanylthieno[3,2-d]pyrimidin-4-one (PubChem CID 130198244) has the molecular formula C16H14N2O2S3 and a molecular weight of 362.50 g/mol. Its IUPAC name is 3-cyclopropyl-2-[2-(4-methylthiophen-2-yl)-2-oxoethyl]sulfanylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-2-[2-(4-methylthiophen-2-yl)-2-oxoethyl]sulfanylthieno[3,2-d]pyrimidin-4-one
PubChem CID130198244
Molecular FormulaC16H14N2O2S3
Molecular Weight362.50 g/mol
Exact Mass362.02
IUPAC Name3-cyclopropyl-2-[2-(4-methylthiophen-2-yl)-2-oxoethyl]sulfanylthieno[3,2-d]pyrimidin-4-one
SMILESCc1csc(C(=O)CSc2nc3ccsc3c(=O)n2C2CC2)c1
InChIInChI=1S/C16H14N2O2S3/c1-9-6-13(22-7-9)12(19)8-23-16-17-11-4-5-21-14(11)15(20)18(16)10-2-3-10/h4-7,10H,2-3,8H2,1H3
InChIKeyNEICUEJKSMVNFR-UHFFFAOYSA-N
XLogP4.14
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-cyclopropyl-2-[2-(4-methylthiophen-2-yl)-2-oxoethyl]sulfanylthieno[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

2-(3-cyclopentyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid
CID 43525776
2-(3-cyclopentyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 45492469
N-[1-(3,4-dimethylphenyl)ethyl]-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 46661021
N-cyclopropyl-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 35198363
2-(3-cyclopropyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid
CID 43525768
2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3-methylthieno[3,2-d]pyrimidin-4-one
CID 33336404
2-(3-tert-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid
CID 43525522
2-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]sulfanyl-3-methylthieno[3,2-d]pyrimidin-4-one
CID 33338220
2-[2-(2,5-difluorophenyl)-2-oxoethyl]sulfanyl-3-methylthieno[3,2-d]pyrimidin-4-one
CID 17423376
3-cyclopropyl-2-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 9381565
2-[3-(2,5-dimethylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N,N-diethylacetamide
CID 50926296
N-(2-chloro-4-methylphenyl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 33336073

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[2-(4-methylthiophen-2-yl)-2-oxoethyl]sulfanylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-cyclopropyl-2-[2-(4-methylthiophen-2-yl)-2-oxoethyl]sulfanylthieno[3,2-d]pyrimidin-4-one (CID 130198244) is 3-cyclopropyl-2-[2-(4-methylthiophen-2-yl)-2-oxoethyl]sulfanylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-cyclopropyl-2-[2-(4-methylthiophen-2-yl)-2-oxoethyl]sulfanylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-cyclopropyl-2-[2-(4-methylthiophen-2-yl)-2-oxoethyl]sulfanylthieno[3,2-d]pyrimidin-4-one is Cc1csc(C(=O)CSc2nc3ccsc3c(=O)n2C2CC2)c1.
What is the InChIKey of 3-cyclopropyl-2-[2-(4-methylthiophen-2-yl)-2-oxoethyl]sulfanylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is NEICUEJKSMVNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S3/c1-9-6-13(22-7-9)12(19)8-23-16-17-11-4-5-21-14(11)15(20)18(16)10-2-3-10/h4-7,10H,2-3,8H2,1H3.
What are the key properties of 3-cyclopropyl-2-[2-(4-methylthiophen-2-yl)-2-oxoethyl]sulfanylthieno[3,2-d]pyrimidin-4-one?
3-cyclopropyl-2-[2-(4-methylthiophen-2-yl)-2-oxoethyl]sulfanylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 362.50 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[2-(4-methylthiophen-2-yl)-2-oxoethyl]sulfanylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 130198244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).