2-[2-[(3-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]acetonitrile

C15H13ClN2S — CID 82436288

IUPAC2-[2-[(3-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]acetonitrile
SMILESN#CCc1sc(Cc2cccc(Cl)c2)nc1C1CC1
InChIInChI=1S/C15H13ClN2S/c16-12-3-1-2-10(8-12)9-14-18-15(11-4-5-11)13(19-14)6-7-17/h1-3,8,11H,4-6,9H2
InChIKeyJIBFWZIYWNJEKG-UHFFFAOYSA-N
MW288.80 g/mol
LogP4.33
Rot. Bonds4

About 2-[2-[(3-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]acetonitrile

2-[2-[(3-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]acetonitrile (PubChem CID 82436288) has the molecular formula C15H13ClN2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 2-[2-[(3-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-[(3-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]acetonitrile
PubChem CID82436288
Molecular FormulaC15H13ClN2S
Molecular Weight288.80 g/mol
Exact Mass288.05
IUPAC Name2-[2-[(3-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]acetonitrile
SMILESN#CCc1sc(Cc2cccc(Cl)c2)nc1C1CC1
InChIInChI=1S/C15H13ClN2S/c16-12-3-1-2-10(8-12)9-14-18-15(11-4-5-11)13(19-14)6-7-17/h1-3,8,11H,4-6,9H2
InChIKeyJIBFWZIYWNJEKG-UHFFFAOYSA-N
XLogP4.33
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)acetonitrile
CID 82436090
2-[4-cyclopropyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazol-5-yl]acetonitrile
CID 82436107
[2-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol
CID 82436119
2-[2-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]acetic acid
CID 82436126
1-[4-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366991
2-[2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetonitrile
CID 82425732
N-[[4-cyclopropyl-2-[(3-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 114367103
2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)acetic acid
CID 82436091
[2-[(3-chlorophenoxy)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol
CID 82436608
2-[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82437261
[2-[(3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 82428640
[4-cyclopropyl-2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-5-yl]methanol
CID 82436116

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]acetonitrile?
The IUPAC name of 2-[2-[(3-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]acetonitrile (CID 82436288) is 2-[2-[(3-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[2-[(3-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]acetonitrile?
The canonical SMILES for 2-[2-[(3-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]acetonitrile is N#CCc1sc(Cc2cccc(Cl)c2)nc1C1CC1.
What is the InChIKey of 2-[2-[(3-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]acetonitrile?
The InChIKey is JIBFWZIYWNJEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2S/c16-12-3-1-2-10(8-12)9-14-18-15(11-4-5-11)13(19-14)6-7-17/h1-3,8,11H,4-6,9H2.
What are the key properties of 2-[2-[(3-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]acetonitrile?
2-[2-[(3-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]acetonitrile has a molecular weight of 288.80 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]acetonitrile is sourced from PubChem (CID 82436288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).