2-cyclopentylidene-2-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]acetonitrile

C19H20N2S — CID 9356520

IUPAC2-cyclopentylidene-2-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]acetonitrile
SMILESCc1ccc(C)c(-c2nc(C(C#N)=C3CCCC3)sc2C)c1
InChIInChI=1S/C19H20N2S/c1-12-8-9-13(2)16(10-12)18-14(3)22-19(21-18)17(11-20)15-6-4-5-7-15/h8-10H,4-7H2,1-3H3
InChIKeyQDGGOIWYDZNNGM-UHFFFAOYSA-N
MW308.45 g/mol
LogP5.59
Rot. Bonds2

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

2-cyclopentylidene-2-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]acetonitrile (PubChem CID 9356520) has the molecular formula C19H20N2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-cyclopentylidene-2-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-cyclopentylidene-2-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]acetonitrile
PubChem CID9356520
Molecular FormulaC19H20N2S
Molecular Weight308.45 g/mol
Exact Mass308.13
IUPAC Name2-cyclopentylidene-2-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]acetonitrile
SMILESCc1ccc(C)c(-c2nc(C(C#N)=C3CCCC3)sc2C)c1
InChIInChI=1S/C19H20N2S/c1-12-8-9-13(2)16(10-12)18-14(3)22-19(21-18)17(11-20)15-6-4-5-7-15/h8-10H,4-7H2,1-3H3
InChIKeyQDGGOIWYDZNNGM-UHFFFAOYSA-N
XLogP5.59
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.45
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentylidene-2-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetonitrile
CID 9356521
4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 842777
4-(2,5-dimethylphenyl)-N,5-dimethyl-1,3-thiazol-2-amine
CID 8963113
4-(2,5-dimethylphenyl)-N-[(2R)-1-methoxypropan-2-yl]-5-methyl-1,3-thiazol-2-amine
CID 8878632
2-cyclohexylidene-2-(3,4-dimethylphenyl)acetonitrile
CID 175476734
2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(oxan-4-ylidene)acetonitrile
CID 118158770
2-[cyano(cyclopentylidene)methyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 9356496
2-[[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 87310875
2-(aminomethyl)-4-(2,5-dimethylphenyl)-1,3-thiazole-5-carbonitrile
CID 82478203
2-amino-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177638
2-cyclopentylidene-2-(2-methylphenyl)acetonitrile
CID 67453590
N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide;formic acid
CID 163340575

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylidene-2-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]acetonitrile?
The IUPAC name of 2-cyclopentylidene-2-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]acetonitrile (CID 9356520) is 2-cyclopentylidene-2-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]acetonitrile.
What is the SMILES notation for 2-cyclopentylidene-2-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]acetonitrile?
The canonical SMILES for 2-cyclopentylidene-2-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]acetonitrile is Cc1ccc(C)c(-c2nc(C(C#N)=C3CCCC3)sc2C)c1.
What is the InChIKey of 2-cyclopentylidene-2-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]acetonitrile?
The InChIKey is QDGGOIWYDZNNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2S/c1-12-8-9-13(2)16(10-12)18-14(3)22-19(21-18)17(11-20)15-6-4-5-7-15/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-cyclopentylidene-2-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]acetonitrile?
2-cyclopentylidene-2-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]acetonitrile has a molecular weight of 308.45 g/mol, XLogP of 5.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylidene-2-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]acetonitrile is sourced from PubChem (CID 9356520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).