6-[[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]hexanoic acid

C16H17ClN2O3S — CID 119220176

IUPAC6-[[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)c1csc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C16H17ClN2O3S/c17-12-6-4-5-11(9-12)16-19-13(10-23-16)15(22)18-8-3-1-2-7-14(20)21/h4-6,9-10H,1-3,7-8H2,(H,18,22)(H,20,21)
InChIKeyPHZGNJGJJAUBBN-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.84
Rot. Bonds8

About 6-[[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]hexanoic acid

6-[[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]hexanoic acid (PubChem CID 119220176) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 6-[[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]hexanoic acid
PubChem CID119220176
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name6-[[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)c1csc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C16H17ClN2O3S/c17-12-6-4-5-11(9-12)16-19-13(10-23-16)15(22)18-8-3-1-2-7-14(20)21/h4-6,9-10H,1-3,7-8H2,(H,18,22)(H,20,21)
InChIKeyPHZGNJGJJAUBBN-UHFFFAOYSA-N
XLogP3.84
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminobutyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 119496862
6-[[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]hexanoic acid
CID 119219951
3-[[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]propanoic acid
CID 119207587
N-octadecyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 11259615
4-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 43355092
5-[[2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 119235171
7-[(2-methyl-1,3-thiazole-4-carbonyl)amino]heptanoic acid
CID 65199802
7-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]heptanoic acid
CID 119227175
5-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 119234517
6-[(2-benzyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid
CID 119220206
N-(4-acetamidophenyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 46479944
5-[[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 119235215

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]hexanoic acid?
The IUPAC name of 6-[[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]hexanoic acid (CID 119220176) is 6-[[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]hexanoic acid?
The canonical SMILES for 6-[[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]hexanoic acid is O=C(O)CCCCCNC(=O)c1csc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 6-[[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]hexanoic acid?
The InChIKey is PHZGNJGJJAUBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c17-12-6-4-5-11(9-12)16-19-13(10-23-16)15(22)18-8-3-1-2-7-14(20)21/h4-6,9-10H,1-3,7-8H2,(H,18,22)(H,20,21).
What are the key properties of 6-[[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]hexanoic acid?
6-[[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]hexanoic acid has a molecular weight of 352.84 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]hexanoic acid is sourced from PubChem (CID 119220176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).