N,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide

C14H17N3OS — CID 115688065

IUPACN,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
SMILESCNC(=O)c1cccc(NCc2nc(C)cs2)c1C
InChIInChI=1S/C14H17N3OS/c1-9-8-19-13(17-9)7-16-12-6-4-5-11(10(12)2)14(18)15-3/h4-6,8,16H,7H2,1-3H3,(H,15,18)
InChIKeyZEVKLGLKLXOSSK-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.73
Rot. Bonds4

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

N,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide (PubChem CID 115688065) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide.

Molecular Properties

Compound NameN,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
PubChem CID115688065
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
SMILESCNC(=O)c1cccc(NCc2nc(C)cs2)c1C
InChIInChI=1S/C14H17N3OS/c1-9-8-19-13(17-9)7-16-12-6-4-5-11(10(12)2)14(18)15-3/h4-6,8,16H,7H2,1-3H3,(H,15,18)
InChIKeyZEVKLGLKLXOSSK-UHFFFAOYSA-N
XLogP2.73
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 115688049
3-[(3-bromothiophen-2-yl)methylamino]-N,2-dimethylbenzamide
CID 115380075
N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 104769743
N,2-dimethyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzamide
CID 62749644
3-amino-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 112578497
3-[(5-ethylfuran-2-yl)methylamino]-N,2-dimethylbenzamide
CID 62345277
3-[(3-hydroxyphenyl)methylamino]-N,2-dimethylbenzamide
CID 43734564
2-methyl-3-(1,3-thiazol-2-ylmethylamino)benzamide
CID 63656612
5-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzoic acid
CID 62516219
N,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 43734492
3-[(4-chloro-2-methylphenyl)methylamino]-N,2-dimethylbenzamide
CID 104853999
3-chloro-2-N,2-N-dimethyl-1-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,2-diamine
CID 115968319

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide?
The IUPAC name of N,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide (CID 115688065) is N,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide.
What is the SMILES notation for N,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide?
The canonical SMILES for N,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide is CNC(=O)c1cccc(NCc2nc(C)cs2)c1C.
What is the InChIKey of N,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide?
The InChIKey is ZEVKLGLKLXOSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9-8-19-13(17-9)7-16-12-6-4-5-11(10(12)2)14(18)15-3/h4-6,8,16H,7H2,1-3H3,(H,15,18).
What are the key properties of N,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide?
N,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide has a molecular weight of 275.38 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide is sourced from PubChem (CID 115688065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).