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

C17H23N3OS2 — CID 3137198

IUPAC2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide
SMILESCc1sc2ncnc(SCC(=O)NC3CCCCC3C)c2c1C
InChIInChI=1S/C17H23N3OS2/c1-10-6-4-5-7-13(10)20-14(21)8-22-16-15-11(2)12(3)23-17(15)19-9-18-16/h9-10,13H,4-8H2,1-3H3,(H,20,21)
InChIKeyQWEFXCZNLYDPKO-UHFFFAOYSA-N
MW349.53 g/mol
LogP4.10
Rot. Bonds4

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

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide (PubChem CID 3137198) has the molecular formula C17H23N3OS2 and a molecular weight of 349.53 g/mol. Its IUPAC name is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide
PubChem CID3137198
Molecular FormulaC17H23N3OS2
Molecular Weight349.53 g/mol
Exact Mass349.13
IUPAC Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide
SMILESCc1sc2ncnc(SCC(=O)NC3CCCCC3C)c2c1C
InChIInChI=1S/C17H23N3OS2/c1-10-6-4-5-7-13(10)20-14(21)8-22-16-15-11(2)12(3)23-17(15)19-9-18-16/h9-10,13H,4-8H2,1-3H3,(H,20,21)
InChIKeyQWEFXCZNLYDPKO-UHFFFAOYSA-N
XLogP4.10
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.53
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,2S)-2-methylcyclohexyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 7680409
N-[(1R,2S)-2-methylcyclohexyl]-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetamide
CID 7777604
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-piperidin-4-ylacetamide
CID 119389402
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119389401
N-[(1R,2S)-2-methylcyclohexyl]-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 2685496
N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 7680684
N-cyclohexyl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide
CID 865963
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 4875922
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(1-hydroxypropan-2-yl)acetamide
CID 166191465
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 2536623
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methylpropyl)acetamide
CID 1412618
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 119575128

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide (CID 3137198) is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide is Cc1sc2ncnc(SCC(=O)NC3CCCCC3C)c2c1C.
What is the InChIKey of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide?
The InChIKey is QWEFXCZNLYDPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS2/c1-10-6-4-5-7-13(10)20-14(21)8-22-16-15-11(2)12(3)23-17(15)19-9-18-16/h9-10,13H,4-8H2,1-3H3,(H,20,21).
What are the key properties of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide?
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide has a molecular weight of 349.53 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 3137198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).