1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carbonitrile

C11H14N2S — CID 65376598

IUPAC1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carbonitrile
SMILESCc1ncc(CC2(C#N)CCCC2)s1
InChIInChI=1S/C11H14N2S/c1-9-13-7-10(14-9)6-11(8-12)4-2-3-5-11/h7H,2-6H2,1H3
InChIKeyISIUPUQDRZMVPK-UHFFFAOYSA-N
MW206.31 g/mol
LogP3.08
Rot. Bonds2

About 1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carbonitrile

1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carbonitrile (PubChem CID 65376598) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carbonitrile
PubChem CID65376598
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carbonitrile
SMILESCc1ncc(CC2(C#N)CCCC2)s1
InChIInChI=1S/C11H14N2S/c1-9-13-7-10(14-9)6-11(8-12)4-2-3-5-11/h7H,2-6H2,1H3
InChIKeyISIUPUQDRZMVPK-UHFFFAOYSA-N
XLogP3.08
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-Ethyl-1,3-thiazol-5-yl)methyl]-5,5,5-trifluoro-2-isocyanopentanenitrile
CID 57736278
2-[(2-Tert-butyl-1,3-thiazol-5-yl)methyl]-5,5,5-trifluoro-2-isocyanopentanenitrile
CID 57736373
5,5,5-Trifluoro-2-isocyano-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanenitrile
CID 57736381
2-[(2-Ethyl-1,3-thiazol-5-yl)methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile
CID 89006175
2-[(2-Methyl-1,3-thiazol-5-yl)methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile
CID 89006225
2-[(2-Chloro-1,3-thiazol-5-yl)methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile
CID 89006349
2-[(2-Tert-butyl-1,3-thiazol-5-yl)methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile
CID 89006361
2-Methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole
CID 163762677
5-[(1-Fluorocyclohexyl)methyl]-2-methyl-1,3-thiazole
CID 170152111
5-Butyl-2-ethylthiazole
CID 581137
2-(3-Methylbutyl)-5-(5-methylhexyl)-1,3-thiazole
CID 18683408
5-(2,2-Dimethylpropyl)-1,3-thiazole
CID 21062117

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carbonitrile (CID 65376598) is 1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carbonitrile is Cc1ncc(CC2(C#N)CCCC2)s1.
What is the InChIKey of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carbonitrile?
The InChIKey is ISIUPUQDRZMVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-9-13-7-10(14-9)6-11(8-12)4-2-3-5-11/h7H,2-6H2,1H3.
What are the key properties of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carbonitrile?
1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carbonitrile has a molecular weight of 206.31 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 65376598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).