3-(2-benzamido-4-methyl-1,3-thiazol-5-yl)propanoic acid

C14H14N2O3S — CID 82058794

IUPAC3-(2-benzamido-4-methyl-1,3-thiazol-5-yl)propanoic acid
SMILESCc1nc(NC(=O)c2ccccc2)sc1CCC(=O)O
InChIInChI=1S/C14H14N2O3S/c1-9-11(7-8-12(17)18)20-14(15-9)16-13(19)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,17,18)(H,15,16,19)
InChIKeyNMGNMJJVPVQSNZ-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.72
Rot. Bonds5

About 3-(2-benzamido-4-methyl-1,3-thiazol-5-yl)propanoic acid

3-(2-benzamido-4-methyl-1,3-thiazol-5-yl)propanoic acid (PubChem CID 82058794) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 3-(2-benzamido-4-methyl-1,3-thiazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-benzamido-4-methyl-1,3-thiazol-5-yl)propanoic acid
PubChem CID82058794
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name3-(2-benzamido-4-methyl-1,3-thiazol-5-yl)propanoic acid
SMILESCc1nc(NC(=O)c2ccccc2)sc1CCC(=O)O
InChIInChI=1S/C14H14N2O3S/c1-9-11(7-8-12(17)18)20-14(15-9)16-13(19)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,17,18)(H,15,16,19)
InChIKeyNMGNMJJVPVQSNZ-UHFFFAOYSA-N
XLogP2.72
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-benzamido-4-methyl-1,3-thiazol-5-yl)acetic acid
CID 82058764
3-[4-methyl-2-(2-methylanilino)-1,3-thiazol-5-yl]propanoic acid
CID 82162004
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide
CID 43837130
3-[2-(3-acetylanilino)-4-methyl-1,3-thiazol-5-yl]propanoic acid
CID 82162009
2-[4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid
CID 82058766
3-[2-(2-chloroanilino)-4-methyl-1,3-thiazol-5-yl]propanoic acid
CID 82161959
N-(5-benzoyl-4-methyl-1,3-thiazol-2-yl)benzamide
CID 7315330
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 43836531
3-[4-methyl-2-(pentanoylamino)-1,3-thiazol-5-yl]propanoic acid
CID 82058784
N-[4-methyl-5-[(4-sulfamoylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 43836440
3-(5-benzamido-1,3,4-thiadiazol-2-yl)propanoic acid
CID 82058157
2-[4-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid
CID 82058765

Frequently Asked Questions

What is the IUPAC name of 3-(2-benzamido-4-methyl-1,3-thiazol-5-yl)propanoic acid?
The IUPAC name of 3-(2-benzamido-4-methyl-1,3-thiazol-5-yl)propanoic acid (CID 82058794) is 3-(2-benzamido-4-methyl-1,3-thiazol-5-yl)propanoic acid.
What is the SMILES notation for 3-(2-benzamido-4-methyl-1,3-thiazol-5-yl)propanoic acid?
The canonical SMILES for 3-(2-benzamido-4-methyl-1,3-thiazol-5-yl)propanoic acid is Cc1nc(NC(=O)c2ccccc2)sc1CCC(=O)O.
What is the InChIKey of 3-(2-benzamido-4-methyl-1,3-thiazol-5-yl)propanoic acid?
The InChIKey is NMGNMJJVPVQSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-9-11(7-8-12(17)18)20-14(15-9)16-13(19)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,17,18)(H,15,16,19).
What are the key properties of 3-(2-benzamido-4-methyl-1,3-thiazol-5-yl)propanoic acid?
3-(2-benzamido-4-methyl-1,3-thiazol-5-yl)propanoic acid has a molecular weight of 290.34 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzamido-4-methyl-1,3-thiazol-5-yl)propanoic acid is sourced from PubChem (CID 82058794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).