2-cyano-2-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide

C16H17N3OS — CID 60529474

IUPAC2-cyano-2-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCc1ccc(-c2nc(NC(=O)C(C)(C)C#N)sc2C)cc1
InChIInChI=1S/C16H17N3OS/c1-10-5-7-12(8-6-10)13-11(2)21-15(18-13)19-14(20)16(3,4)9-17/h5-8H,1-4H3,(H,18,19,20)
InChIKeyQSWCTPHQYZCJHE-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.92
Rot. Bonds3

About 2-cyano-2-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide

2-cyano-2-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 60529474) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-cyano-2-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-cyano-2-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID60529474
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name2-cyano-2-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCc1ccc(-c2nc(NC(=O)C(C)(C)C#N)sc2C)cc1
InChIInChI=1S/C16H17N3OS/c1-10-5-7-12(8-6-10)13-11(2)21-15(18-13)19-14(20)16(3,4)9-17/h5-8H,1-4H3,(H,18,19,20)
InChIKeyQSWCTPHQYZCJHE-UHFFFAOYSA-N
XLogP3.92
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 119266982
4-tert-butyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1185902
N-[5-amino-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 82342260
4-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-4-oxobut-2-enoic acid
CID 843290
4-fluoro-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 880470
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 19172938
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 19183929
2-cyano-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 167954925
3-(cyanomethyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 78884527
2-cyano-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 19173139
(2S)-2-amino-3-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119267022
2-methyl-3-(methylamino)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide;hydrochloride
CID 119681505

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-cyano-2-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide (CID 60529474) is 2-cyano-2-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-cyano-2-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-cyano-2-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide is Cc1ccc(-c2nc(NC(=O)C(C)(C)C#N)sc2C)cc1.
What is the InChIKey of 2-cyano-2-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is QSWCTPHQYZCJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-10-5-7-12(8-6-10)13-11(2)21-15(18-13)19-14(20)16(3,4)9-17/h5-8H,1-4H3,(H,18,19,20).
What are the key properties of 2-cyano-2-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide?
2-cyano-2-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 299.40 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 60529474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).