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

C15H19N3OS — CID 39183433

IUPAC3-amino-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
SMILESCc1ccc(C)c(-c2nc(NC(=O)CCN)sc2C)c1
InChIInChI=1S/C15H19N3OS/c1-9-4-5-10(2)12(8-9)14-11(3)20-15(18-14)17-13(19)6-7-16/h4-5,8H,6-7,16H2,1-3H3,(H,17,18,19)
InChIKeyFBVYOIWILZJKNL-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.02
Rot. Bonds4

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

3-amino-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide (PubChem CID 39183433) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-amino-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-amino-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
PubChem CID39183433
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name3-amino-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
SMILESCc1ccc(C)c(-c2nc(NC(=O)CCN)sc2C)c1
InChIInChI=1S/C15H19N3OS/c1-9-4-5-10(2)12(8-9)14-11(3)20-15(18-14)17-13(19)6-7-16/h4-5,8H,6-7,16H2,1-3H3,(H,17,18,19)
InChIKeyFBVYOIWILZJKNL-UHFFFAOYSA-N
XLogP3.02
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177638
N-cyclopentyl-N'-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]butanediamide
CID 156585824
N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
CID 774248
4-(2,5-dimethylphenyl)-N,5-dimethyl-1,3-thiazol-2-amine
CID 8963113
2-[[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 87310875
N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide;formic acid
CID 163340575
N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
CID 3493678
N-[1-[[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 4842765
3-amino-N-[4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 39183232
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 19172938
N-[4-(2,5-dimethylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 126210588
4-amino-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]butanamide
CID 119267039

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-amino-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide (CID 39183433) is 3-amino-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-amino-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-amino-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide is Cc1ccc(C)c(-c2nc(NC(=O)CCN)sc2C)c1.
What is the InChIKey of 3-amino-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide?
The InChIKey is FBVYOIWILZJKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-9-4-5-10(2)12(8-9)14-11(3)20-15(18-14)17-13(19)6-7-16/h4-5,8H,6-7,16H2,1-3H3,(H,17,18,19).
What are the key properties of 3-amino-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide?
3-amino-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide has a molecular weight of 289.40 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 39183433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).