2-[2-(4-chlorophenyl)ethylamino]-1,3-thiazole-4-carboxylic acid

C12H11ClN2O2S — CID 80568324

IUPAC2-[2-(4-chlorophenyl)ethylamino]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(NCCc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H11ClN2O2S/c13-9-3-1-8(2-4-9)5-6-14-12-15-10(7-18-12)11(16)17/h1-4,7H,5-6H2,(H,14,15)(H,16,17)
InChIKeyZLXFNALPJGVRAY-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.15
Rot. Bonds5

About 2-[2-(4-chlorophenyl)ethylamino]-1,3-thiazole-4-carboxylic acid

2-[2-(4-chlorophenyl)ethylamino]-1,3-thiazole-4-carboxylic acid (PubChem CID 80568324) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethylamino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethylamino]-1,3-thiazole-4-carboxylic acid
PubChem CID80568324
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Name2-[2-(4-chlorophenyl)ethylamino]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(NCCc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H11ClN2O2S/c13-9-3-1-8(2-4-9)5-6-14-12-15-10(7-18-12)11(16)17/h1-4,7H,5-6H2,(H,14,15)(H,16,17)
InChIKeyZLXFNALPJGVRAY-UHFFFAOYSA-N
XLogP3.15
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(furan-2-yl)ethylamino]-1,3-thiazole-4-carboxylic acid
CID 80569145
2-[(4-ethylphenyl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 106900901
2-[2-[(4-chlorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373281
2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazole-4-carboxylic acid
CID 82030624
2-(4-butylanilino)-1,3-thiazole-4-carboxylic acid
CID 79024050
N-[2-(4-chlorophenyl)ethyl]-1,3-thiazol-2-amine
CID 60658715
N-[2-(4-chlorophenyl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65277041
4-(2,4-dichlorophenyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine
CID 2470553
N-[2-(4-chlorophenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide
CID 42109082
3-[2-[(4-bromo-1,3-thiazol-2-yl)amino]ethyl]benzoic acid
CID 79399210
2-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylic acid
CID 106296014
4-chloro-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine
CID 83153478

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-1,3-thiazole-4-carboxylic acid (CID 80568324) is 2-[2-(4-chlorophenyl)ethylamino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethylamino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethylamino]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(NCCc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethylamino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is ZLXFNALPJGVRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c13-9-3-1-8(2-4-9)5-6-14-12-15-10(7-18-12)11(16)17/h1-4,7H,5-6H2,(H,14,15)(H,16,17).
What are the key properties of 2-[2-(4-chlorophenyl)ethylamino]-1,3-thiazole-4-carboxylic acid?
2-[2-(4-chlorophenyl)ethylamino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 282.75 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethylamino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 80568324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).