3-methyl-1-(1,3-thiazol-5-ylmethyl)cyclopentane-1-carbonitrile

C11H14N2S — CID 112645123

IUPAC3-methyl-1-(1,3-thiazol-5-ylmethyl)cyclopentane-1-carbonitrile
SMILESCC1CCC(C#N)(Cc2cncs2)C1
InChIInChI=1S/C11H14N2S/c1-9-2-3-11(4-9,7-12)5-10-6-13-8-14-10/h6,8-9H,2-5H2,1H3
InChIKeyTZVHQWSYVLPFQY-UHFFFAOYSA-N
MW206.31 g/mol
LogP3.02
Rot. Bonds2

About 3-methyl-1-(1,3-thiazol-5-ylmethyl)cyclopentane-1-carbonitrile

3-methyl-1-(1,3-thiazol-5-ylmethyl)cyclopentane-1-carbonitrile (PubChem CID 112645123) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 3-methyl-1-(1,3-thiazol-5-ylmethyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-methyl-1-(1,3-thiazol-5-ylmethyl)cyclopentane-1-carbonitrile
PubChem CID112645123
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name3-methyl-1-(1,3-thiazol-5-ylmethyl)cyclopentane-1-carbonitrile
SMILESCC1CCC(C#N)(Cc2cncs2)C1
InChIInChI=1S/C11H14N2S/c1-9-2-3-11(4-9,7-12)5-10-6-13-8-14-10/h6,8-9H,2-5H2,1H3
InChIKeyTZVHQWSYVLPFQY-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexane-1-carbonitrile
CID 112645121
1-[(5-ethylthiophen-2-yl)methyl]-3-methylcyclopentane-1-carbonitrile
CID 65400247
3-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclopentane-1-carbonitrile
CID 65401861
3-methyl-1-(thiophen-3-ylmethyl)cyclopentane-1-carbonitrile
CID 65401660
1-[(3,4-dichlorophenyl)methyl]-3-methylcyclopentane-1-carbonitrile
CID 65401049
2-(1,3-thiazol-5-ylmethyl)thiolane-2-carbonitrile
CID 112645135
1-[(3-fluorophenyl)methyl]-3-methylcyclopentane-1-carbonitrile
CID 65401046
[4-methyl-1-(1,3-thiazol-5-ylmethylamino)cyclohexyl]methanol
CID 62759472
[4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanamine
CID 112644052
2,4,4-trimethyl-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine
CID 115732727
5-methyl-3-(1,3-thiazol-5-ylmethyl)thiolan-3-ol
CID 112642022
1-[(3,5-dimethylphenyl)methyl]-3-methylcyclohexane-1-carbonitrile
CID 65378501

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1,3-thiazol-5-ylmethyl)cyclopentane-1-carbonitrile?
The IUPAC name of 3-methyl-1-(1,3-thiazol-5-ylmethyl)cyclopentane-1-carbonitrile (CID 112645123) is 3-methyl-1-(1,3-thiazol-5-ylmethyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-methyl-1-(1,3-thiazol-5-ylmethyl)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-methyl-1-(1,3-thiazol-5-ylmethyl)cyclopentane-1-carbonitrile is CC1CCC(C#N)(Cc2cncs2)C1.
What is the InChIKey of 3-methyl-1-(1,3-thiazol-5-ylmethyl)cyclopentane-1-carbonitrile?
The InChIKey is TZVHQWSYVLPFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-9-2-3-11(4-9,7-12)5-10-6-13-8-14-10/h6,8-9H,2-5H2,1H3.
What are the key properties of 3-methyl-1-(1,3-thiazol-5-ylmethyl)cyclopentane-1-carbonitrile?
3-methyl-1-(1,3-thiazol-5-ylmethyl)cyclopentane-1-carbonitrile has a molecular weight of 206.31 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1,3-thiazol-5-ylmethyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 112645123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).