4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-methylbenzamide

C12H12ClN3OS — CID 107095648

IUPAC4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NCc2ncc(Cl)s2)cc1
InChIInChI=1S/C12H12ClN3OS/c1-14-12(17)8-2-4-9(5-3-8)15-7-11-16-6-10(13)18-11/h2-6,15H,7H2,1H3,(H,14,17)
InChIKeyNQRAWRLJZIKWHB-UHFFFAOYSA-N
MW281.77 g/mol
LogP2.77
Rot. Bonds4

About 4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-methylbenzamide

4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-methylbenzamide (PubChem CID 107095648) has the molecular formula C12H12ClN3OS and a molecular weight of 281.77 g/mol. Its IUPAC name is 4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-methylbenzamide
PubChem CID107095648
Molecular FormulaC12H12ClN3OS
Molecular Weight281.77 g/mol
Exact Mass281.04
IUPAC Name4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NCc2ncc(Cl)s2)cc1
InChIInChI=1S/C12H12ClN3OS/c1-14-12(17)8-2-4-9(5-3-8)15-7-11-16-6-10(13)18-11/h2-6,15H,7H2,1H3,(H,14,17)
InChIKeyNQRAWRLJZIKWHB-UHFFFAOYSA-N
XLogP2.77
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.77
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 107123995
4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide
CID 104921583
6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyridin-3-amine
CID 104877929
N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 104769743
2-chloro-5-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide
CID 104921758
2-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]-N-methylacetamide
CID 104879443
N-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide
CID 43683696
N-methyl-4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methylamino]benzamide
CID 174740416
4-[(2-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide
CID 103605319
N-methyl-4-[(2,3,4-trihydroxyphenyl)methylamino]benzamide
CID 107730574
4-[(5-chloro-2-methoxyphenyl)methylamino]-N-methylbenzamide
CID 60696773
4-tert-butyl-N-[(5-iodo-1,3-thiazol-2-yl)methyl]aniline
CID 112755253

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-methylbenzamide?
The IUPAC name of 4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-methylbenzamide (CID 107095648) is 4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-methylbenzamide.
What is the SMILES notation for 4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-methylbenzamide?
The canonical SMILES for 4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-methylbenzamide is CNC(=O)c1ccc(NCc2ncc(Cl)s2)cc1.
What is the InChIKey of 4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-methylbenzamide?
The InChIKey is NQRAWRLJZIKWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3OS/c1-14-12(17)8-2-4-9(5-3-8)15-7-11-16-6-10(13)18-11/h2-6,15H,7H2,1H3,(H,14,17).
What are the key properties of 4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-methylbenzamide?
4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-methylbenzamide has a molecular weight of 281.77 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-methylbenzamide is sourced from PubChem (CID 107095648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).