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

C18H19N3O2S2 — CID 655638

IUPAC2-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCc1sc2nc(C3CC3)nc(SCC(=O)NCc3ccco3)c2c1C
InChIInChI=1S/C18H19N3O2S2/c1-10-11(2)25-18-15(10)17(20-16(21-18)12-5-6-12)24-9-14(22)19-8-13-4-3-7-23-13/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,19,22)
InChIKeyDIXVGPYZDSCOSO-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.19
Rot. Bonds6

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

2-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide (PubChem CID 655638) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
PubChem CID655638
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC Name2-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCc1sc2nc(C3CC3)nc(SCC(=O)NCc3ccco3)c2c1C
InChIInChI=1S/C18H19N3O2S2/c1-10-11(2)25-18-15(10)17(20-16(21-18)12-5-6-12)24-9-14(22)19-8-13-4-3-7-23-13/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,19,22)
InChIKeyDIXVGPYZDSCOSO-UHFFFAOYSA-N
XLogP4.19
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-Furanyl-[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]methanone
CID 1434953
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-(5-Methyl-furan-2-yl)-6-(1-phenyl-ethyl)-thieno[2,3-d]pyrimidin-4-ylamine
CID 45275719
6-[(3,3-Difluoropiperidin-1-yl)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 45278533
2-(Furan-2-yl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 45279725
6-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 45279727
2-(5-Methyl-furan-2-yl)-thieno[2,3-d]pyrimidin-4-ylamine
CID 59277997
1-[[2-(Furan-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]amino]-3-methylpyrrole-2,5-dione
CID 137642892

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide (CID 655638) is 2-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide is Cc1sc2nc(C3CC3)nc(SCC(=O)NCc3ccco3)c2c1C.
What is the InChIKey of 2-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The InChIKey is DIXVGPYZDSCOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c1-10-11(2)25-18-15(10)17(20-16(21-18)12-5-6-12)24-9-14(22)19-8-13-4-3-7-23-13/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,19,22).
What are the key properties of 2-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
2-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide has a molecular weight of 373.50 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 655638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).