2-[2-benzamido-4-(3,4-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid

C20H18N2O3S — CID 39200223

IUPAC2-[2-benzamido-4-(3,4-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESCc1ccc(-c2nc(NC(=O)c3ccccc3)sc2CC(=O)O)cc1C
InChIInChI=1S/C20H18N2O3S/c1-12-8-9-15(10-13(12)2)18-16(11-17(23)24)26-20(21-18)22-19(25)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,23,24)(H,21,22,25)
InChIKeyBDSZPUJZDCNTED-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.31
Rot. Bonds5

About 2-[2-benzamido-4-(3,4-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid

2-[2-benzamido-4-(3,4-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 39200223) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-[2-benzamido-4-(3,4-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-benzamido-4-(3,4-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid
PubChem CID39200223
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name2-[2-benzamido-4-(3,4-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESCc1ccc(-c2nc(NC(=O)c3ccccc3)sc2CC(=O)O)cc1C
InChIInChI=1S/C20H18N2O3S/c1-12-8-9-15(10-13(12)2)18-16(11-17(23)24)26-20(21-18)22-19(25)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,23,24)(H,21,22,25)
InChIKeyBDSZPUJZDCNTED-UHFFFAOYSA-N
XLogP4.31
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(4-methylbenzoyl)amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 39200245
2-[2-benzamido-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid
CID 39200227
2-(2-benzamido-4-methyl-1,3-thiazol-5-yl)acetic acid
CID 82058764
2-[4-(4-fluorophenyl)-2-[(4-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid
CID 39200247
N-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 2809893
2-[2-(2,2-dimethylpropanoylamino)-4-(4-fluoro-3-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 97035856
3,4-dimethyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 868794
2-[4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid
CID 82058766
1-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylurea
CID 58465398
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide
CID 5048055
2-[2-acetamido-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 39199975
2-[2-acetamido-4-(4-bromophenyl)-1,3-thiazol-5-yl]acetic acid
CID 39199983

Frequently Asked Questions

What is the IUPAC name of 2-[2-benzamido-4-(3,4-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-benzamido-4-(3,4-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid (CID 39200223) is 2-[2-benzamido-4-(3,4-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-benzamido-4-(3,4-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-benzamido-4-(3,4-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid is Cc1ccc(-c2nc(NC(=O)c3ccccc3)sc2CC(=O)O)cc1C.
What is the InChIKey of 2-[2-benzamido-4-(3,4-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is BDSZPUJZDCNTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-12-8-9-15(10-13(12)2)18-16(11-17(23)24)26-20(21-18)22-19(25)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,23,24)(H,21,22,25).
What are the key properties of 2-[2-benzamido-4-(3,4-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid?
2-[2-benzamido-4-(3,4-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 366.44 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-benzamido-4-(3,4-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 39200223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).