2-[cyano(cyclopentylidene)methyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide

C18H17N3OS — CID 9356496

IUPAC2-[cyano(cyclopentylidene)methyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C#N)=C2CCCC2)sc1C(=O)Nc1ccccc1
InChIInChI=1S/C18H17N3OS/c1-12-16(17(22)21-14-9-3-2-4-10-14)23-18(20-12)15(11-19)13-7-5-6-8-13/h2-4,9-10H,5-8H2,1H3,(H,21,22)
InChIKeyWVNOZDKMOCIKER-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.55
Rot. Bonds3

About 2-[cyano(cyclopentylidene)methyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide

2-[cyano(cyclopentylidene)methyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 9356496) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 2-[cyano(cyclopentylidene)methyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[cyano(cyclopentylidene)methyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
PubChem CID9356496
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name2-[cyano(cyclopentylidene)methyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C#N)=C2CCCC2)sc1C(=O)Nc1ccccc1
InChIInChI=1S/C18H17N3OS/c1-12-16(17(22)21-14-9-3-2-4-10-14)23-18(20-12)15(11-19)13-7-5-6-8-13/h2-4,9-10H,5-8H2,1H3,(H,21,22)
InChIKeyWVNOZDKMOCIKER-UHFFFAOYSA-N
XLogP4.55
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 735558
2-(dimethylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 8893174
2-(dimethylcarbamoylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 110443786
4-methyl-N-phenyl-2-(pyridin-2-ylamino)-1,3-thiazole-5-carboxamide
CID 46512544
2-[[3-cyano-4-methyl-5-(phenylcarbamoyl)thiophen-2-yl]carbamoyl]cyclohexene-1-carboxylic acid
CID 53270797
4-methyl-N-phenyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 8871070
4-methyl-2-[[4-(methylamino)benzoyl]amino]-N-phenyl-1,3-thiazole-5-carboxamide
CID 144822340
4-methyl-N-phenyl-2-(1,3-thiazol-5-yl)-1,3-thiazole-5-carboxamide
CID 166359838
N-(4-chlorophenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897056
3-[4-methyl-5-(phenylcarbamoyl)-1,3-thiazol-2-yl]benzoic acid
CID 51115527
2-[2-(benzylamino)-2-oxoethyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 9233075
2-butylsulfanyl-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 2196390

Frequently Asked Questions

What is the IUPAC name of 2-[cyano(cyclopentylidene)methyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[cyano(cyclopentylidene)methyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide (CID 9356496) is 2-[cyano(cyclopentylidene)methyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[cyano(cyclopentylidene)methyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[cyano(cyclopentylidene)methyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(C(C#N)=C2CCCC2)sc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-[cyano(cyclopentylidene)methyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is WVNOZDKMOCIKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-12-16(17(22)21-14-9-3-2-4-10-14)23-18(20-12)15(11-19)13-7-5-6-8-13/h2-4,9-10H,5-8H2,1H3,(H,21,22).
What are the key properties of 2-[cyano(cyclopentylidene)methyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
2-[cyano(cyclopentylidene)methyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyano(cyclopentylidene)methyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 9356496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).