2-[4-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid

C14H14N2O3S — CID 82058765

IUPAC2-[4-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid
SMILESCc1ccccc1C(=O)Nc1nc(C)c(CC(=O)O)s1
InChIInChI=1S/C14H14N2O3S/c1-8-5-3-4-6-10(8)13(19)16-14-15-9(2)11(20-14)7-12(17)18/h3-6H,7H2,1-2H3,(H,17,18)(H,15,16,19)
InChIKeyXPXNADUKCBUOHF-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.64
Rot. Bonds4

About 2-[4-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid

2-[4-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid (PubChem CID 82058765) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-[4-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid
PubChem CID82058765
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name2-[4-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid
SMILESCc1ccccc1C(=O)Nc1nc(C)c(CC(=O)O)s1
InChIInChI=1S/C14H14N2O3S/c1-8-5-3-4-6-10(8)13(19)16-14-15-9(2)11(20-14)7-12(17)18/h3-6H,7H2,1-2H3,(H,17,18)(H,15,16,19)
InChIKeyXPXNADUKCBUOHF-UHFFFAOYSA-N
XLogP2.64
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82058768
2-(2-benzamido-4-methyl-1,3-thiazol-5-yl)acetic acid
CID 82058764
2-(2-acetamido-4-methyl-1,3-thiazol-5-yl)acetic acid
CID 82058750
2-[4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid
CID 82058766
3-(2-benzamido-4-methyl-1,3-thiazol-5-yl)propanoic acid
CID 82058794
2-[4-methyl-2-(naphthalen-1-ylamino)-1,3-thiazol-5-yl]acetic acid
CID 82065133
2-[2-[[2-(4-fluorophenyl)acetyl]amino]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 93206259
2-[2-(2,6-difluoroanilino)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82065147
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylbenzamide
CID 7193003
N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-2-methylbenzamide
CID 1347127
2-[4-methyl-2-(pyridin-2-ylmethylamino)-1,3-thiazol-5-yl]acetic acid
CID 82091194
2-[4-[5-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-4-yl]phenoxy]acetic acid
CID 28864610

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid (CID 82058765) is 2-[4-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid is Cc1ccccc1C(=O)Nc1nc(C)c(CC(=O)O)s1.
What is the InChIKey of 2-[4-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid?
The InChIKey is XPXNADUKCBUOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-8-5-3-4-6-10(8)13(19)16-14-15-9(2)11(20-14)7-12(17)18/h3-6H,7H2,1-2H3,(H,17,18)(H,15,16,19).
What are the key properties of 2-[4-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid?
2-[4-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid has a molecular weight of 290.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 82058765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).