3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid

C15H15ClN2O3S — CID 119362912

IUPAC3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C(=O)N(C)CCC(=O)O
InChIInChI=1S/C15H15ClN2O3S/c1-9-13(15(21)18(2)8-7-12(19)20)22-14(17-9)10-3-5-11(16)6-4-10/h3-6H,7-8H2,1-2H3,(H,19,20)
InChIKeyPRCZJTYBPPNCSB-UHFFFAOYSA-N
MW338.82 g/mol
LogP3.32
Rot. Bonds5

About 3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid

3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid (PubChem CID 119362912) has the molecular formula C15H15ClN2O3S and a molecular weight of 338.82 g/mol. Its IUPAC name is 3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid
PubChem CID119362912
Molecular FormulaC15H15ClN2O3S
Molecular Weight338.82 g/mol
Exact Mass338.05
IUPAC Name3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C(=O)N(C)CCC(=O)O
InChIInChI=1S/C15H15ClN2O3S/c1-9-13(15(21)18(2)8-7-12(19)20)22-14(17-9)10-3-5-11(16)6-4-10/h3-6H,7-8H2,1-2H3,(H,19,20)
InChIKeyPRCZJTYBPPNCSB-UHFFFAOYSA-N
XLogP3.32
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid
CID 119232512
3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 29134816
3-[[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid
CID 119232739
N-(1-aminopropan-2-yl)-2-(4-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 119583997
2-(4-chlorophenyl)-N,4-dimethyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 39996104
2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24512904
2-(3-chloro-4-fluorophenyl)-N-[2-(diethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 59338384
N,4-dimethyl-2-phenyl-N-(3-phenylpropyl)-1,3-thiazole-5-carboxamide
CID 55710205
N-ethyl-N,4-dimethyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 134058026
N-[(3-carbamoylphenyl)methyl]-2-(4-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 55920535
N-[2-(diethylamino)ethyl]-2-(4-iodophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 143445165
2-(4-butylphenyl)-N,4-dimethyl-N-propyl-1,3-thiazole-5-carboxamide
CID 143281454

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid?
The IUPAC name of 3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid (CID 119362912) is 3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid is Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid?
The InChIKey is PRCZJTYBPPNCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3S/c1-9-13(15(21)18(2)8-7-12(19)20)22-14(17-9)10-3-5-11(16)6-4-10/h3-6H,7-8H2,1-2H3,(H,19,20).
What are the key properties of 3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid?
3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid has a molecular weight of 338.82 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid is sourced from PubChem (CID 119362912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).