N-methyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine

C14H13N3S — CID 37144332

IUPACN-methyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine
SMILESCN(Cc1ccncc1)c1nc2ccccc2s1
InChIInChI=1S/C14H13N3S/c1-17(10-11-6-8-15-9-7-11)14-16-12-4-2-3-5-13(12)18-14/h2-9H,10H2,1H3
InChIKeyWFDZXTGDAWLBCZ-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.33
Rot. Bonds3

About N-methyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine

N-methyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine (PubChem CID 37144332) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is N-methyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine
PubChem CID37144332
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC NameN-methyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine
SMILESCN(Cc1ccncc1)c1nc2ccccc2s1
InChIInChI=1S/C14H13N3S/c1-17(10-11-6-8-15-9-7-11)14-16-12-4-2-3-5-13(12)18-14/h2-9H,10H2,1H3
InChIKeyWFDZXTGDAWLBCZ-UHFFFAOYSA-N
XLogP3.33
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine 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

N,6-dimethyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine
CID 171702591
N-(2-chloroethyl)-N-methyl-1,3-benzothiazol-2-amine
CID 63392267
N-methyl-N-(pyridin-4-ylmethyl)quinoxalin-2-amine
CID 171702700
N,4-dimethyl-5-(methylaminomethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine
CID 62766787
N-tert-butyl-N-methyl-1,3-benzothiazol-2-amine
CID 168757730
N-[(3,5-dimethoxyphenyl)methyl]-N-methyl-[1,3]thiazolo[4,5-c]pyridin-2-amine
CID 171336258
N-(2-cyclopropylethyl)-N-methyl-1,3-benzothiazol-2-amine
CID 133398444
N-methyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine
CID 145410692
N-[(4-methylphenyl)methyl]-N-pyridin-1-ium-1-yl-1,3-benzothiazol-2-amine
CID 11361933
4-N-methyl-4-N-(pyridin-4-ylmethyl)quinoline-3,4-diamine
CID 103962883
2-[1,3-benzothiazol-2-yl(methyl)amino]-N-methoxy-N-methylacetamide
CID 90605517
N'-(1,3-benzothiazol-2-yl)-N'-ethylmethanediamine
CID 143176372

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-methyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine (CID 37144332) is N-methyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-methyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-methyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine is CN(Cc1ccncc1)c1nc2ccccc2s1.
What is the InChIKey of N-methyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine?
The InChIKey is WFDZXTGDAWLBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-17(10-11-6-8-15-9-7-11)14-16-12-4-2-3-5-13(12)18-14/h2-9H,10H2,1H3.
What are the key properties of N-methyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine?
N-methyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine has a molecular weight of 255.35 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 37144332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).