2-[[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-2-phenylacetic acid

C19H14Cl2N2O3S — CID 71949658

IUPAC2-[[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-2-phenylacetic acid
SMILESCc1nc(-c2c(Cl)cccc2Cl)sc1C(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C19H14Cl2N2O3S/c1-10-16(27-18(22-10)14-12(20)8-5-9-13(14)21)17(24)23-15(19(25)26)11-6-3-2-4-7-11/h2-9,15H,1H3,(H,23,24)(H,25,26)
InChIKeyZLVXKHSCNMLHMV-UHFFFAOYSA-N
MW421.31 g/mol
LogP4.98
Rot. Bonds5

About 2-[[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-2-phenylacetic acid

2-[[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-2-phenylacetic acid (PubChem CID 71949658) has the molecular formula C19H14Cl2N2O3S and a molecular weight of 421.31 g/mol. Its IUPAC name is 2-[[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-2-phenylacetic acid
PubChem CID71949658
Molecular FormulaC19H14Cl2N2O3S
Molecular Weight421.31 g/mol
Exact Mass420.01
IUPAC Name2-[[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-2-phenylacetic acid
SMILESCc1nc(-c2c(Cl)cccc2Cl)sc1C(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C19H14Cl2N2O3S/c1-10-16(27-18(22-10)14-12(20)8-5-9-13(14)21)17(24)23-15(19(25)26)11-6-3-2-4-7-11/h2-9,15H,1H3,(H,23,24)(H,25,26)
InChIKeyZLVXKHSCNMLHMV-UHFFFAOYSA-N
XLogP4.98
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.31
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-3-phenylpropanoic acid
CID 75269827
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-phenylacetic acid
CID 43240578
2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-2-phenylacetic acid
CID 74586861
(2R)-2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]-2-phenylacetic acid
CID 29140347
methyl 2-[[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-2-phenylacetate
CID 60609906
2-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 52899426
2-[(2,6-dichlorobenzoyl)amino]-2-phenylacetic acid
CID 43079894
4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 9123977
2-(2,6-dichlorophenyl)-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 42537023
2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 56919999
N-benzhydryl-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide
CID 39084136
(2R)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-phenylacetic acid
CID 62828688

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-2-phenylacetic acid (CID 71949658) is 2-[[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-2-phenylacetic acid is Cc1nc(-c2c(Cl)cccc2Cl)sc1C(=O)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-2-phenylacetic acid?
The InChIKey is ZLVXKHSCNMLHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O3S/c1-10-16(27-18(22-10)14-12(20)8-5-9-13(14)21)17(24)23-15(19(25)26)11-6-3-2-4-7-11/h2-9,15H,1H3,(H,23,24)(H,25,26).
What are the key properties of 2-[[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-2-phenylacetic acid?
2-[[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-2-phenylacetic acid has a molecular weight of 421.31 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 71949658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).