2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile

C10H12N2S2 — CID 43293184

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile
SMILESCc1csc(SC2CCCC2C#N)n1
InChIInChI=1S/C10H12N2S2/c1-7-6-13-10(12-7)14-9-4-2-3-8(9)5-11/h6,8-9H,2-4H2,1H3
InChIKeyUWWMFHCOIXWROU-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.24
Rot. Bonds2

About 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile

2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile (PubChem CID 43293184) has the molecular formula C10H12N2S2 and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile
PubChem CID43293184
Molecular FormulaC10H12N2S2
Molecular Weight224.35 g/mol
Exact Mass224.04
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile
SMILESCc1csc(SC2CCCC2C#N)n1
InChIInChI=1S/C10H12N2S2/c1-7-6-13-10(12-7)14-9-4-2-3-8(9)5-11/h6,8-9H,2-4H2,1H3
InChIKeyUWWMFHCOIXWROU-UHFFFAOYSA-N
XLogP3.24
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-Methylsulfanyl-1,3-thiazol-4-yl)methylsulfanyl]propanenitrile
CID 121316630
2-(2-Ethylhexylsulfanyl)-4-methyl-1,3-thiazole
CID 141400937
3-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]propanenitrile
CID 21817226
4-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]butanenitrile
CID 28403851
3-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]pentanenitrile
CID 43175246
2-Methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanenitrile
CID 43242781
2-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile
CID 43293177
4-Ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile
CID 43293180
4-Methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexane-1-carbonitrile
CID 43293181
2-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]cycloheptane-1-carbonitrile
CID 43293183
2-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]-4-propylcyclohexane-1-carbonitrile
CID 43293185
[2-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentyl]methanamine
CID 43530674

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile (CID 43293184) is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile is Cc1csc(SC2CCCC2C#N)n1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile?
The InChIKey is UWWMFHCOIXWROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S2/c1-7-6-13-10(12-7)14-9-4-2-3-8(9)5-11/h6,8-9H,2-4H2,1H3.
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile?
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile has a molecular weight of 224.35 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 43293184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).