2-amino-6-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide

C11H10ClN3OS — CID 63830369

IUPAC2-amino-6-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide
SMILESNc1cccc(Cl)c1C(=O)NCc1cscn1
InChIInChI=1S/C11H10ClN3OS/c12-8-2-1-3-9(13)10(8)11(16)14-4-7-5-17-6-15-7/h1-3,5-6H,4,13H2,(H,14,16)
InChIKeyJKZJLJJWXZTQPX-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.31
Rot. Bonds3

About 2-amino-6-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide

2-amino-6-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide (PubChem CID 63830369) has the molecular formula C11H10ClN3OS and a molecular weight of 267.74 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide
PubChem CID63830369
Molecular FormulaC11H10ClN3OS
Molecular Weight267.74 g/mol
Exact Mass267.02
IUPAC Name2-amino-6-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide
SMILESNc1cccc(Cl)c1C(=O)NCc1cscn1
InChIInChI=1S/C11H10ClN3OS/c12-8-2-1-3-9(13)10(8)11(16)14-4-7-5-17-6-15-7/h1-3,5-6H,4,13H2,(H,14,16)
InChIKeyJKZJLJJWXZTQPX-UHFFFAOYSA-N
XLogP2.31
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-ethoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 81420120
2-chloro-6-(1,3-thiazol-4-ylmethylamino)benzoic acid
CID 63825805
2-chloro-6-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284893
2-amino-6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 63659710
6-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide
CID 62413892
1-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 111450585
4-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
CID 81232495
2-amino-6-chloro-N-prop-2-enylbenzamide
CID 63658592
2-amino-6-chlorobenzohydrazide;ethane
CID 145125015
3-bromo-4-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 103841851
2-amino-6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 70334221
2-amino-6-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 63659172

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide?
The IUPAC name of 2-amino-6-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide (CID 63830369) is 2-amino-6-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-6-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide?
The canonical SMILES for 2-amino-6-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide is Nc1cccc(Cl)c1C(=O)NCc1cscn1.
What is the InChIKey of 2-amino-6-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide?
The InChIKey is JKZJLJJWXZTQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3OS/c12-8-2-1-3-9(13)10(8)11(16)14-4-7-5-17-6-15-7/h1-3,5-6H,4,13H2,(H,14,16).
What are the key properties of 2-amino-6-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide?
2-amino-6-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide has a molecular weight of 267.74 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide is sourced from PubChem (CID 63830369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).