2-amino-6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide

C12H12ClN3OS — CID 63659710

IUPAC2-amino-6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCc1csc(CNC(=O)c2c(N)cccc2Cl)n1
InChIInChI=1S/C12H12ClN3OS/c1-7-6-18-10(16-7)5-15-12(17)11-8(13)3-2-4-9(11)14/h2-4,6H,5,14H2,1H3,(H,15,17)
InChIKeyHASBPPGORNONHQ-UHFFFAOYSA-N
MW281.77 g/mol
LogP2.62
Rot. Bonds3

About 2-amino-6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide

2-amino-6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide (PubChem CID 63659710) has the molecular formula C12H12ClN3OS and a molecular weight of 281.77 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
PubChem CID63659710
Molecular FormulaC12H12ClN3OS
Molecular Weight281.77 g/mol
Exact Mass281.04
IUPAC Name2-amino-6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCc1csc(CNC(=O)c2c(N)cccc2Cl)n1
InChIInChI=1S/C12H12ClN3OS/c1-7-6-18-10(16-7)5-15-12(17)11-8(13)3-2-4-9(11)14/h2-4,6H,5,14H2,1H3,(H,15,17)
InChIKeyHASBPPGORNONHQ-UHFFFAOYSA-N
XLogP2.62
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.77
LogP ≤ 52.62
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-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 63238942
3,6-dichloro-2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 110443046
6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 55052730
2-amino-6-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 63830369
2-(2-aminophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 63238856
4-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 60709490
2-amino-5-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 54915790
2-(4-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 51315954
3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazine-2-carboxamide
CID 25480153
2-(methylamino)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 61043728
5-chloro-2-hydrazinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 62247849
2-chloro-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 110441971

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The IUPAC name of 2-amino-6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide (CID 63659710) is 2-amino-6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 2-amino-6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The canonical SMILES for 2-amino-6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide is Cc1csc(CNC(=O)c2c(N)cccc2Cl)n1.
What is the InChIKey of 2-amino-6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The InChIKey is HASBPPGORNONHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3OS/c1-7-6-18-10(16-7)5-15-12(17)11-8(13)3-2-4-9(11)14/h2-4,6H,5,14H2,1H3,(H,15,17).
What are the key properties of 2-amino-6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
2-amino-6-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide has a molecular weight of 281.77 g/mol, XLogP of 2.62, 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-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 63659710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).