2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide

C16H16N4O3S2 — CID 2612432

IUPAC2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESCc1sc2ncnc(SCC(=O)NC(=O)NCc3ccco3)c2c1C
InChIInChI=1S/C16H16N4O3S2/c1-9-10(2)25-15-13(9)14(18-8-19-15)24-7-12(21)20-16(22)17-6-11-4-3-5-23-11/h3-5,8H,6-7H2,1-2H3,(H2,17,20,21,22)
InChIKeyVZJKHXKVSRZPSC-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.02
Rot. Bonds5

About 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide (PubChem CID 2612432) has the molecular formula C16H16N4O3S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide
PubChem CID2612432
Molecular FormulaC16H16N4O3S2
Molecular Weight376.46 g/mol
Exact Mass376.07
IUPAC Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESCc1sc2ncnc(SCC(=O)NC(=O)NCc3ccco3)c2c1C
InChIInChI=1S/C16H16N4O3S2/c1-9-10(2)25-15-13(9)14(18-8-19-15)24-7-12(21)20-16(22)17-6-11-4-3-5-23-11/h3-5,8H,6-7H2,1-2H3,(H2,17,20,21,22)
InChIKeyVZJKHXKVSRZPSC-UHFFFAOYSA-N
XLogP3.02
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

F1174-1718
CID 704116
2-(5,6-Dimethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-1-[4-(furan-2-carbonyl)-piperazin-1-yl]-ethanone
CID 650703
4-((Furan-2-ylmethyl)thio)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 717861
N-(6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-yl)furan-2-carboxamide
CID 651628
N-(furan-2-ylmethyl)-2-[(7-propan-2-ylsulfanyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]acetamide
CID 665737
2-(Furan-2-yl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 45279725
1-[[2-(Furan-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]amino]-3-methylpyrrole-2,5-dione
CID 137642892
N-[2-(dimethylamino)-5-(8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-ylamino)phenyl]furan-2-carboxamide
CID 162671342
N-[(Furan-2-Yl)methyl]-5,6,7,8-Tetrahydro[1]benzothieno[2,3-D]pyrimidin-4-Amine
CID 837191
N-(furan-2-ylmethyl)-2-((5-morpholino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)acetamide
CID 1265413
1-[4-(Furan-2-carbonyl)-piperazin-1-yl]-2-(2,5,6-trimethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-ethanone
CID 644575
2-[(2-cyclopropyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)thio]-N-(2-furanylmethyl)acetamide
CID 645407

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide (CID 2612432) is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide is Cc1sc2ncnc(SCC(=O)NC(=O)NCc3ccco3)c2c1C.
What is the InChIKey of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide?
The InChIKey is VZJKHXKVSRZPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S2/c1-9-10(2)25-15-13(9)14(18-8-19-15)24-7-12(21)20-16(22)17-6-11-4-3-5-23-11/h3-5,8H,6-7H2,1-2H3,(H2,17,20,21,22).
What are the key properties of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide?
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide has a molecular weight of 376.46 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 2612432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).