N-(1-cyanocyclohexyl)-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

C19H24N4OS2 — CID 7680698

IUPACN-(1-cyanocyclohexyl)-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)N(C)C2(C#N)CCCCC2)c2c(C)c(C)sc2n1
InChIInChI=1S/C19H24N4OS2/c1-12-13(2)26-18-16(12)17(21-14(3)22-18)25-10-15(24)23(4)19(11-20)8-6-5-7-9-19/h5-10H2,1-4H3
InChIKeyXPQFHHJWKKJNFD-UHFFFAOYSA-N
MW388.56 g/mol
LogP4.39
Rot. Bonds4

About N-(1-cyanocyclohexyl)-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

N-(1-cyanocyclohexyl)-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 7680698) has the molecular formula C19H24N4OS2 and a molecular weight of 388.56 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
PubChem CID7680698
Molecular FormulaC19H24N4OS2
Molecular Weight388.56 g/mol
Exact Mass388.14
IUPAC NameN-(1-cyanocyclohexyl)-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)N(C)C2(C#N)CCCCC2)c2c(C)c(C)sc2n1
InChIInChI=1S/C19H24N4OS2/c1-12-13(2)26-18-16(12)17(21-14(3)22-18)25-10-15(24)23(4)19(11-20)8-6-5-7-9-19/h5-10H2,1-4H3
InChIKeyXPQFHHJWKKJNFD-UHFFFAOYSA-N
XLogP4.39
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-cyanocyclohexyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 4821335
N-(1-cyanocyclohexyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 7499946
2-(3-aminopyrazin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)-N-methylacetamide
CID 106678918
N-cyclohexyl-N-phenyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 7362647
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 16567192
N-cycloheptyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 4822106
N-(1-cyanocyclohexyl)-N-methyl-2-(4-methylphenyl)sulfanylacetamide
CID 26569678
N'-acetyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetohydrazide
CID 7680254
N-(1-cyanocyclohexyl)-N-methyl-2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 7169012
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 1435403
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 1435406
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 7680376

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (CID 7680698) is N-(1-cyanocyclohexyl)-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is Cc1nc(SCC(=O)N(C)C2(C#N)CCCCC2)c2c(C)c(C)sc2n1.
What is the InChIKey of N-(1-cyanocyclohexyl)-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The InChIKey is XPQFHHJWKKJNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS2/c1-12-13(2)26-18-16(12)17(21-14(3)22-18)25-10-15(24)23(4)19(11-20)8-6-5-7-9-19/h5-10H2,1-4H3.
What are the key properties of N-(1-cyanocyclohexyl)-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
N-(1-cyanocyclohexyl)-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 388.56 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 7680698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).