N-cyclopentyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

C14H17N3OS2 — CID 6457426

IUPACN-cyclopentyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCc1cc2c(SCC(=O)NC3CCCC3)ncnc2s1
InChIInChI=1S/C14H17N3OS2/c1-9-6-11-13(15-8-16-14(11)20-9)19-7-12(18)17-10-4-2-3-5-10/h6,8,10H,2-5,7H2,1H3,(H,17,18)
InChIKeyICODCPFGBIGLBN-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.15
Rot. Bonds4

About N-cyclopentyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

N-cyclopentyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 6457426) has the molecular formula C14H17N3OS2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-cyclopentyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
PubChem CID6457426
Molecular FormulaC14H17N3OS2
Molecular Weight307.44 g/mol
Exact Mass307.08
IUPAC NameN-cyclopentyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCc1cc2c(SCC(=O)NC3CCCC3)ncnc2s1
InChIInChI=1S/C14H17N3OS2/c1-9-6-11-13(15-8-16-14(11)20-9)19-7-12(18)17-10-4-2-3-5-10/h6,8,10H,2-5,7H2,1H3,(H,17,18)
InChIKeyICODCPFGBIGLBN-UHFFFAOYSA-N
XLogP3.15
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 9265700
1-[2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]pyrrolidine-2-carboxylic acid
CID 82033801
N-cyclopropyl-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
CID 133407949
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-piperidin-4-ylacetamide
CID 119389402
N-(2,4-dimethoxyphenyl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 6459909
2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
CID 16627264
2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperazin-1-ylethanone
CID 39163135
ethyl 4-[[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]piperidine-1-carboxylate
CID 39084848
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119389401
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 6600310
N-cyclopentyl-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 1154282
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide
CID 3137198

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (CID 6457426) is N-cyclopentyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is Cc1cc2c(SCC(=O)NC3CCCC3)ncnc2s1.
What is the InChIKey of N-cyclopentyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The InChIKey is ICODCPFGBIGLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS2/c1-9-6-11-13(15-8-16-14(11)20-9)19-7-12(18)17-10-4-2-3-5-10/h6,8,10H,2-5,7H2,1H3,(H,17,18).
What are the key properties of N-cyclopentyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
N-cyclopentyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 307.44 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 6457426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).