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

C11H14N2S — CID 131207555

IUPAC2-methyl-1-(4-methyl-1,3-thiazol-2-yl)cyclopentane-1-carbonitrile
SMILESCc1csc(C2(C#N)CCCC2C)n1
InChIInChI=1S/C11H14N2S/c1-8-4-3-5-11(8,7-12)10-13-9(2)6-14-10/h6,8H,3-5H2,1-2H3
InChIKeyWSSBZXOXUVUBFR-UHFFFAOYSA-N
MW206.31 g/mol
LogP3.03
Rot. Bonds1

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

2-methyl-1-(4-methyl-1,3-thiazol-2-yl)cyclopentane-1-carbonitrile (PubChem CID 131207555) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-methyl-1-(4-methyl-1,3-thiazol-2-yl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-methyl-1-(4-methyl-1,3-thiazol-2-yl)cyclopentane-1-carbonitrile
PubChem CID131207555
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name2-methyl-1-(4-methyl-1,3-thiazol-2-yl)cyclopentane-1-carbonitrile
SMILESCc1csc(C2(C#N)CCCC2C)n1
InChIInChI=1S/C11H14N2S/c1-8-4-3-5-11(8,7-12)10-13-9(2)6-14-10/h6,8H,3-5H2,1-2H3
InChIKeyWSSBZXOXUVUBFR-UHFFFAOYSA-N
XLogP3.03
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcyclohexan-1-amine
CID 61333826
N-(2-methoxyethyl)-2-methyl-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine
CID 65050193
4-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine
CID 65084804
N-ethyl-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)cycloheptan-1-amine
CID 65085428
1-(4-methyl-1,3-thiazol-2-yl)cyclooctan-1-amine
CID 61330263
1-(4-methyl-1,3-thiazol-2-yl)cyclododecan-1-amine
CID 63405815
1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61336907
N-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)cyclooctan-1-amine
CID 61335254
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcyclopentan-1-amine
CID 64515479
2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976146
4-methyl-2-[(2S,3R,4S)-4-methyl-1-oxaspiro[2.5]octan-2-yl]-1,3-thiazole
CID 57353874
N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754919

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methyl-1,3-thiazol-2-yl)cyclopentane-1-carbonitrile?
The IUPAC name of 2-methyl-1-(4-methyl-1,3-thiazol-2-yl)cyclopentane-1-carbonitrile (CID 131207555) is 2-methyl-1-(4-methyl-1,3-thiazol-2-yl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-methyl-1-(4-methyl-1,3-thiazol-2-yl)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-methyl-1-(4-methyl-1,3-thiazol-2-yl)cyclopentane-1-carbonitrile is Cc1csc(C2(C#N)CCCC2C)n1.
What is the InChIKey of 2-methyl-1-(4-methyl-1,3-thiazol-2-yl)cyclopentane-1-carbonitrile?
The InChIKey is WSSBZXOXUVUBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-8-4-3-5-11(8,7-12)10-13-9(2)6-14-10/h6,8H,3-5H2,1-2H3.
What are the key properties of 2-methyl-1-(4-methyl-1,3-thiazol-2-yl)cyclopentane-1-carbonitrile?
2-methyl-1-(4-methyl-1,3-thiazol-2-yl)cyclopentane-1-carbonitrile has a molecular weight of 206.31 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methyl-1,3-thiazol-2-yl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 131207555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).