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

C15H15ClN2O3S — CID 72887014

IUPAC2-(2-chlorophenyl)-2-[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]acetic acid
SMILESCc1ncsc1CCC(=O)NC(C(=O)O)c1ccccc1Cl
InChIInChI=1S/C15H15ClN2O3S/c1-9-12(22-8-17-9)6-7-13(19)18-14(15(20)21)10-4-2-3-5-11(10)16/h2-5,8,14H,6-7H2,1H3,(H,18,19)(H,20,21)
InChIKeyCMWYCHGHPJRTSM-UHFFFAOYSA-N
MW338.82 g/mol
LogP2.98
Rot. Bonds6

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

2-(2-chlorophenyl)-2-[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]acetic acid (PubChem CID 72887014) has the molecular formula C15H15ClN2O3S and a molecular weight of 338.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]acetic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]acetic acid
PubChem CID72887014
Molecular FormulaC15H15ClN2O3S
Molecular Weight338.82 g/mol
Exact Mass338.05
IUPAC Name2-(2-chlorophenyl)-2-[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]acetic acid
SMILESCc1ncsc1CCC(=O)NC(C(=O)O)c1ccccc1Cl
InChIInChI=1S/C15H15ClN2O3S/c1-9-12(22-8-17-9)6-7-13(19)18-14(15(20)21)10-4-2-3-5-11(10)16/h2-5,8,14H,6-7H2,1H3,(H,18,19)(H,20,21)
InChIKeyCMWYCHGHPJRTSM-UHFFFAOYSA-N
XLogP2.98
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-chlorophenyl)-2-[3-(furan-2-yl)propanoylamino]acetic acid
CID 107314642
2-(2-chlorophenyl)-2-(3-methylbutanoylamino)acetic acid
CID 82092999
(2R)-3-methyl-2-[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]butanamide
CID 74243450
N-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 70740526
(2R)-2-(2-chlorophenyl)-2-(3-methylpentanoylamino)acetic acid
CID 107314468
N-[1-(2-methylpyrazol-3-yl)propyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 70730398
(2R)-2-(2-chlorophenyl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid
CID 107314389
(2R)-2-(2-chlorophenyl)-2-(methylamino)acetic acid
CID 51886753
(2R)-2-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetic acid
CID 107314790
(2R)-2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-2-(2-chlorophenyl)acetic acid
CID 107315280
(2R)-2-[(3-amino-2-methylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107315159
(2R)-2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]-2-(2-chlorophenyl)acetic acid
CID 107315977

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]acetic acid?
The IUPAC name of 2-(2-chlorophenyl)-2-[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]acetic acid (CID 72887014) is 2-(2-chlorophenyl)-2-[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]acetic acid.
What is the SMILES notation for 2-(2-chlorophenyl)-2-[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]acetic acid?
The canonical SMILES for 2-(2-chlorophenyl)-2-[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]acetic acid is Cc1ncsc1CCC(=O)NC(C(=O)O)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-2-[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]acetic acid?
The InChIKey is CMWYCHGHPJRTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3S/c1-9-12(22-8-17-9)6-7-13(19)18-14(15(20)21)10-4-2-3-5-11(10)16/h2-5,8,14H,6-7H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-(2-chlorophenyl)-2-[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]acetic acid?
2-(2-chlorophenyl)-2-[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]acetic acid has a molecular weight of 338.82 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]acetic acid is sourced from PubChem (CID 72887014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).