4-methyl-2-phenyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide

C14H14N2OS — CID 3795905

IUPAC4-methyl-2-phenyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
SMILESC=CCNC(=O)c1sc(-c2ccccc2)nc1C
InChIInChI=1S/C14H14N2OS/c1-3-9-15-13(17)12-10(2)16-14(18-12)11-7-5-4-6-8-11/h3-8H,1,9H2,2H3,(H,15,17)
InChIKeyJHIPDWUEAWXRRB-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.03
Rot. Bonds4

About 4-methyl-2-phenyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide

4-methyl-2-phenyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide (PubChem CID 3795905) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 4-methyl-2-phenyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-phenyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
PubChem CID3795905
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name4-methyl-2-phenyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
SMILESC=CCNC(=O)c1sc(-c2ccccc2)nc1C
InChIInChI=1S/C14H14N2OS/c1-3-9-15-13(17)12-10(2)16-14(18-12)11-7-5-4-6-8-11/h3-8H,1,9H2,2H3,(H,15,17)
InChIKeyJHIPDWUEAWXRRB-UHFFFAOYSA-N
XLogP3.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Metsulfovax
CID 88916
1-(4-Methyl-2-phenyl-1,3-thiazol-5-yl)ethan-1-one
CID 540397
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CID 737887
4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 5297318
4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide
CID 2744514
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 16032033
N-(cyanomethyl)-4-methyl-2-(2-phenyl-1,3-thiazol-4-yl)pentanamide
CID 11034349
N-{2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}thiophene-2-carboxamide
CID 7207745
N-(4-(trifluoromethylsulfonamido)benzyl)-4-methyl-2-(4-(trifluoromethyl)phenyl)thiazole-5-carboxamide
CID 44446262
N'5-(2-methylbut-2-enoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 5703420
3,3-dimethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 7152314
N-(2,4-dimethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 8076096

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-phenyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide (CID 3795905) is 4-methyl-2-phenyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-phenyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-phenyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide is C=CCNC(=O)c1sc(-c2ccccc2)nc1C.
What is the InChIKey of 4-methyl-2-phenyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide?
The InChIKey is JHIPDWUEAWXRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-3-9-15-13(17)12-10(2)16-14(18-12)11-7-5-4-6-8-11/h3-8H,1,9H2,2H3,(H,15,17).
What are the key properties of 4-methyl-2-phenyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide?
4-methyl-2-phenyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide has a molecular weight of 258.35 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 3795905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).