2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]acetic acid

C11H9ClN2O2S — CID 82134209

IUPAC2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]acetic acid
SMILESO=C(O)CNc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C11H9ClN2O2S/c12-8-3-1-7(2-4-8)9-6-17-11(14-9)13-5-10(15)16/h1-4,6H,5H2,(H,13,14)(H,15,16)
InChIKeyIWMVLZCAJWROLP-UHFFFAOYSA-N
MW268.73 g/mol
LogP2.96
Rot. Bonds4

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

2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]acetic acid (PubChem CID 82134209) has the molecular formula C11H9ClN2O2S and a molecular weight of 268.73 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]acetic acid
PubChem CID82134209
Molecular FormulaC11H9ClN2O2S
Molecular Weight268.73 g/mol
Exact Mass268.01
IUPAC Name2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]acetic acid
SMILESO=C(O)CNc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C11H9ClN2O2S/c12-8-3-1-7(2-4-8)9-6-17-11(14-9)13-5-10(15)16/h1-4,6H,5H2,(H,13,14)(H,15,16)
InChIKeyIWMVLZCAJWROLP-UHFFFAOYSA-N
XLogP2.96
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetohydrazide
CID 2315799
2-(benzylamino)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 43814202
1-[(4-chlorophenyl)methyl]-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]urea
CID 121080343
4-chloro-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2332435
ethyl N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamate
CID 3624682
N-ethyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetamide
CID 86802898
2-(4-chlorophenyl)sulfanyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1479323
2-(4-chlorophenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 844056
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzamide
CID 46880290
(Z)-4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-methyl-4-oxobut-2-enoic acid
CID 7223548
(1R,6R)-6-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 996347
2-[4-chloro-6-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]pyrimidin-2-yl]sulfanylacetic acid
CID 72734878

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]acetic acid?
The IUPAC name of 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]acetic acid (CID 82134209) is 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]acetic acid is O=C(O)CNc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]acetic acid?
The InChIKey is IWMVLZCAJWROLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2S/c12-8-3-1-7(2-4-8)9-6-17-11(14-9)13-5-10(15)16/h1-4,6H,5H2,(H,13,14)(H,15,16).
What are the key properties of 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]acetic acid?
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]acetic acid has a molecular weight of 268.73 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]acetic acid is sourced from PubChem (CID 82134209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).