2-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid

C15H15ClN2O3S — CID 119204842

IUPAC2-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H15ClN2O3S/c1-2-7-18(8-13(19)20)15(21)12-9-22-14(17-12)10-3-5-11(16)6-4-10/h3-6,9H,2,7-8H2,1H3,(H,19,20)
InChIKeyOCASTBITQLJFSK-UHFFFAOYSA-N
MW338.82 g/mol
LogP3.40
Rot. Bonds6

About 2-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid

2-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid (PubChem CID 119204842) has the molecular formula C15H15ClN2O3S and a molecular weight of 338.82 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid
PubChem CID119204842
Molecular FormulaC15H15ClN2O3S
Molecular Weight338.82 g/mol
Exact Mass338.05
IUPAC Name2-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H15ClN2O3S/c1-2-7-18(8-13(19)20)15(21)12-9-22-14(17-12)10-3-5-11(16)6-4-10/h3-6,9H,2,7-8H2,1H3,(H,19,20)
InChIKeyOCASTBITQLJFSK-UHFFFAOYSA-N
XLogP3.40
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid with MolForge

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Related Compounds

2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid
CID 119205035
2-[[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid
CID 119348120
2-[ethyl-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 119206590
2-(4-chlorophenyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 55432986
2-[[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid
CID 119189802
N-(1-aminopropan-2-yl)-2-(4-chlorophenyl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119584366
2-(4-chlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 18114414
2-(4-chlorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 111695137
N-(2-aminoethyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 39162463
2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]-propylamino]acetic acid
CID 86779617
2-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 119508471
1-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-methylpropan-1-one
CID 58782173

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid?
The IUPAC name of 2-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid (CID 119204842) is 2-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)c1csc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid?
The InChIKey is OCASTBITQLJFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3S/c1-2-7-18(8-13(19)20)15(21)12-9-22-14(17-12)10-3-5-11(16)6-4-10/h3-6,9H,2,7-8H2,1H3,(H,19,20).
What are the key properties of 2-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid?
2-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid has a molecular weight of 338.82 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid is sourced from PubChem (CID 119204842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).