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

C14H18N4OS — CID 63357356

IUPAC4-amino-N-methyl-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzamide
SMILESCNC(=O)c1ccc(N)c(N(C)Cc2csc(C)n2)c1
InChIInChI=1S/C14H18N4OS/c1-9-17-11(8-20-9)7-18(3)13-6-10(14(19)16-2)4-5-12(13)15/h4-6,8H,7,15H2,1-3H3,(H,16,19)
InChIKeyUWLQERLOVSGXSU-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.03
Rot. Bonds4

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

4-amino-N-methyl-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzamide (PubChem CID 63357356) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-amino-N-methyl-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzamide
PubChem CID63357356
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name4-amino-N-methyl-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzamide
SMILESCNC(=O)c1ccc(N)c(N(C)Cc2csc(C)n2)c1
InChIInChI=1S/C14H18N4OS/c1-9-17-11(8-20-9)7-18(3)13-6-10(14(19)16-2)4-5-12(13)15/h4-6,8H,7,15H2,1-3H3,(H,16,19)
InChIKeyUWLQERLOVSGXSU-UHFFFAOYSA-N
XLogP2.03
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-N-methyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1,2-diamine
CID 115468828
4-bromo-2-N-methyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1,2-diamine
CID 65342722
4-amino-3-[(4-bromophenyl)methyl-methylamino]-N-methylbenzamide
CID 63357471
2-bromo-1-N,5-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1,4-diamine
CID 114048222
3-N,2-dimethyl-3-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1,3-diamine
CID 63062920
3-amino-4-[(4-bromothiophen-2-yl)methyl-methylamino]-N-methylbenzamide
CID 82988917
5-amino-N-methyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenesulfonamide
CID 103286941
4-amino-3-[methoxy(methyl)amino]-N-methylbenzamide
CID 63357385
3-amino-N-methyl-4-[methyl(pyridin-2-ylmethyl)amino]benzamide
CID 82988706
3-amino-4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 61282063
3-[2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]ethyl]-N-methylbenzamide;hydroiodide
CID 109424703
2-(aminomethyl)-N,5-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 62306932

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzamide?
The IUPAC name of 4-amino-N-methyl-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzamide (CID 63357356) is 4-amino-N-methyl-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzamide.
What is the SMILES notation for 4-amino-N-methyl-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzamide?
The canonical SMILES for 4-amino-N-methyl-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzamide is CNC(=O)c1ccc(N)c(N(C)Cc2csc(C)n2)c1.
What is the InChIKey of 4-amino-N-methyl-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzamide?
The InChIKey is UWLQERLOVSGXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-9-17-11(8-20-9)7-18(3)13-6-10(14(19)16-2)4-5-12(13)15/h4-6,8H,7,15H2,1-3H3,(H,16,19).
What are the key properties of 4-amino-N-methyl-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzamide?
4-amino-N-methyl-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzamide has a molecular weight of 290.39 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzamide is sourced from PubChem (CID 63357356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).