N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanamide

C14H16N2OS — CID 733834

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanamide
SMILESCc1nc(NC(=O)CCc2ccccc2)sc1C
InChIInChI=1S/C14H16N2OS/c1-10-11(2)18-14(15-10)16-13(17)9-8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,15,16,17)
InChIKeyBOSTUYJRKSELPD-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.33
Rot. Bonds4

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanamide (PubChem CID 733834) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanamide
PubChem CID733834
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanamide
SMILESCc1nc(NC(=O)CCc2ccccc2)sc1C
InChIInChI=1S/C14H16N2OS/c1-10-11(2)18-14(15-10)16-13(17)9-8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,15,16,17)
InChIKeyBOSTUYJRKSELPD-UHFFFAOYSA-N
XLogP3.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 57415009
ethyl 4-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxylate
CID 2072961
N-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 18128642
N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 28901044
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 18198249
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide
CID 110441535
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35536420
prop-2-enyl 4-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxylate
CID 110441503
N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 682912
N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide
CID 39189565
methyl 4-methyl-2-(4-phenylbutanoylamino)-1,3-thiazole-5-carboxylate
CID 17218045
N-(5-amino-4-methyl-1,3-thiazol-2-yl)-3-(4-methylphenyl)propanamide
CID 82342481

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanamide (CID 733834) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanamide is Cc1nc(NC(=O)CCc2ccccc2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanamide?
The InChIKey is BOSTUYJRKSELPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-10-11(2)18-14(15-10)16-13(17)9-8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,15,16,17).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanamide has a molecular weight of 260.36 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 733834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).