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

C13H15N3OS — CID 104769743

IUPACN-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
SMILESCNC(=O)c1ccc(NCc2nc(C)cs2)cc1
InChIInChI=1S/C13H15N3OS/c1-9-8-18-12(16-9)7-15-11-5-3-10(4-6-11)13(17)14-2/h3-6,8,15H,7H2,1-2H3,(H,14,17)
InChIKeyKJCFTPRRBLWWIK-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.42
Rot. Bonds4

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

N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide (PubChem CID 104769743) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide.

Molecular Properties

Compound NameN-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
PubChem CID104769743
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
SMILESCNC(=O)c1ccc(NCc2nc(C)cs2)cc1
InChIInChI=1S/C13H15N3OS/c1-9-8-18-12(16-9)7-15-11-5-3-10(4-6-11)13(17)14-2/h3-6,8,15H,7H2,1-2H3,(H,14,17)
InChIKeyKJCFTPRRBLWWIK-UHFFFAOYSA-N
XLogP2.42
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 115687991
N,N-dimethyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]phenyl]acetamide
CID 115633702
N-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide
CID 115743550
N,2-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 115688065
4-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 60709490
3,4-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 78992547
4-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 78992505
4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-methylbenzamide
CID 107095648
methyl 2-[[4-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]benzoyl]amino]acetate
CID 55699116
3-bromo-4-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 115688112
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-pentylaniline
CID 104769646
4-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-2-carboxamide
CID 54913654

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide?
The IUPAC name of N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide (CID 104769743) is N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide.
What is the SMILES notation for N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide?
The canonical SMILES for N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide is CNC(=O)c1ccc(NCc2nc(C)cs2)cc1.
What is the InChIKey of N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide?
The InChIKey is KJCFTPRRBLWWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9-8-18-12(16-9)7-15-11-5-3-10(4-6-11)13(17)14-2/h3-6,8,15H,7H2,1-2H3,(H,14,17).
What are the key properties of N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide?
N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide has a molecular weight of 261.35 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide is sourced from PubChem (CID 104769743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).