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

C12H12ClN3OS — CID 61282058

IUPAC4-amino-2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCc1nc(CNC(=O)c2ccc(N)cc2Cl)cs1
InChIInChI=1S/C12H12ClN3OS/c1-7-16-9(6-18-7)5-15-12(17)10-3-2-8(14)4-11(10)13/h2-4,6H,5,14H2,1H3,(H,15,17)
InChIKeyCSLINQQQWAPLQX-UHFFFAOYSA-N
MW281.77 g/mol
LogP2.62
Rot. Bonds3

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

4-amino-2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide (PubChem CID 61282058) has the molecular formula C12H12ClN3OS and a molecular weight of 281.77 g/mol. Its IUPAC name is 4-amino-2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
PubChem CID61282058
Molecular FormulaC12H12ClN3OS
Molecular Weight281.77 g/mol
Exact Mass281.04
IUPAC Name4-amino-2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCc1nc(CNC(=O)c2ccc(N)cc2Cl)cs1
InChIInChI=1S/C12H12ClN3OS/c1-7-16-9(6-18-7)5-15-12(17)10-3-2-8(14)4-11(10)13/h2-4,6H,5,14H2,1H3,(H,15,17)
InChIKeyCSLINQQQWAPLQX-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

4-chloro-2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47290953
2-amino-4-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 79723371
4-amino-2-chloro-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 78984714
5-amino-2-fluoro-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 103296222
5-chloro-2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 113225215
2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-nitrobenzamide
CID 61284015
2-amino-6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 55041571
4-amino-2-chloro-N-ethylbenzamide;hydrochloride
CID 47000809
2-chloro-N-ethyl-4-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzamide
CID 131937813
4-amino-2-chloro-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 110473992
4-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide
CID 28748811
4-amino-N-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide
CID 106036023

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The IUPAC name of 4-amino-2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide (CID 61282058) is 4-amino-2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-amino-2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide is Cc1nc(CNC(=O)c2ccc(N)cc2Cl)cs1.
What is the InChIKey of 4-amino-2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The InChIKey is CSLINQQQWAPLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3OS/c1-7-16-9(6-18-7)5-15-12(17)10-3-2-8(14)4-11(10)13/h2-4,6H,5,14H2,1H3,(H,15,17).
What are the key properties of 4-amino-2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
4-amino-2-chloro-N-[(2-methyl-1,3-thiazol-4-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 4-amino-2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide is sourced from PubChem (CID 61282058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).