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

C14H16N2OS — CID 110679397

IUPACN-[(2-methylphenyl)methyl]-3-(1,3-thiazol-4-yl)propanamide
SMILESCc1ccccc1CNC(=O)CCc1cscn1
InChIInChI=1S/C14H16N2OS/c1-11-4-2-3-5-12(11)8-15-14(17)7-6-13-9-18-10-16-13/h2-5,9-10H,6-8H2,1H3,(H,15,17)
InChIKeyNRNGPUVNSTYDSG-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.70
Rot. Bonds5

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

N-[(2-methylphenyl)methyl]-3-(1,3-thiazol-4-yl)propanamide (PubChem CID 110679397) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-3-(1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-3-(1,3-thiazol-4-yl)propanamide
PubChem CID110679397
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-[(2-methylphenyl)methyl]-3-(1,3-thiazol-4-yl)propanamide
SMILESCc1ccccc1CNC(=O)CCc1cscn1
InChIInChI=1S/C14H16N2OS/c1-11-4-2-3-5-12(11)8-15-14(17)7-6-13-9-18-10-16-13/h2-5,9-10H,6-8H2,1H3,(H,15,17)
InChIKeyNRNGPUVNSTYDSG-UHFFFAOYSA-N
XLogP2.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-3-(1,3-thiazol-4-yl)propanamide
CID 110679477
N-[(2-methylphenyl)methyl]-3-(1,3-oxazol-4-yl)propanamide
CID 110678970
N-[2-(methylamino)ethyl]-3-(1,3-thiazol-4-yl)propanamide
CID 119501389
3-(1H-indol-3-yl)-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 49346210
2-(naphthalen-1-ylmethyl)-3-[3-(1,3-thiazol-4-yl)propanoylamino]propanoic acid
CID 119245539
2-(2-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 49346575
N-prop-2-enyl-3-(1,3-thiazol-4-yl)propanamide
CID 110679374
2,2-dimethyl-3-[3-(1,3-thiazol-4-yl)propanoylamino]propanoic acid
CID 119249357
N-[(2-methylphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31251684
2-methyl-3-[3-(1,3-thiazol-4-yl)propanoylamino]propanoic acid
CID 115731374
3-(1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 47080825
2-[[3-(1,3-thiazol-4-yl)propanoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244829

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-3-(1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-3-(1,3-thiazol-4-yl)propanamide (CID 110679397) is N-[(2-methylphenyl)methyl]-3-(1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-3-(1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-3-(1,3-thiazol-4-yl)propanamide is Cc1ccccc1CNC(=O)CCc1cscn1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-3-(1,3-thiazol-4-yl)propanamide?
The InChIKey is NRNGPUVNSTYDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-11-4-2-3-5-12(11)8-15-14(17)7-6-13-9-18-10-16-13/h2-5,9-10H,6-8H2,1H3,(H,15,17).
What are the key properties of N-[(2-methylphenyl)methyl]-3-(1,3-thiazol-4-yl)propanamide?
N-[(2-methylphenyl)methyl]-3-(1,3-thiazol-4-yl)propanamide has a molecular weight of 260.36 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-3-(1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 110679397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).