N-methyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine

C13H11N3S — CID 145410692

IUPACN-methyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine
SMILESCN(c1ccccn1)c1nc2ccccc2s1
InChIInChI=1S/C13H11N3S/c1-16(12-8-4-5-9-14-12)13-15-10-6-2-3-7-11(10)17-13/h2-9H,1H3
InChIKeyUZQLUISWPCUNNA-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.46
Rot. Bonds2

About N-methyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine

N-methyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine (PubChem CID 145410692) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is N-methyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine
PubChem CID145410692
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC NameN-methyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine
SMILESCN(c1ccccn1)c1nc2ccccc2s1
InChIInChI=1S/C13H11N3S/c1-16(12-8-4-5-9-14-12)13-15-10-6-2-3-7-11(10)17-13/h2-9H,1H3
InChIKeyUZQLUISWPCUNNA-UHFFFAOYSA-N
XLogP3.46
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-pyridin-2-ylpyridin-2-amine
CID 14365053
N-tert-butyl-N-methyl-1,3-benzothiazol-2-amine
CID 168757730
N-(1,3-benzothiazol-2-yl)-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 17492594
N-(2-chloroethyl)-N-methyl-1,3-benzothiazol-2-amine
CID 63392267
N-methyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine
CID 37144332
2-methyl-1,3-benzothiazole;2-methylpyridine
CID 160647860
N-(1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 18576672
methyl N-(1,3-benzothiazol-2-yl)-N-methylcarbamodithioate
CID 804828
2-[1,3-benzothiazol-2-yl(methyl)amino]-N-methoxy-N-methylacetamide
CID 90605517
N-(1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-2-ylmethyl)propanamide
CID 18576666
N-(2-cyclopropylethyl)-N-methyl-1,3-benzothiazol-2-amine
CID 133398444
methyl N-amino-N-(1,3-benzothiazol-2-yl)carbamate
CID 77174878

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine?
The IUPAC name of N-methyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine (CID 145410692) is N-methyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-methyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-methyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine is CN(c1ccccn1)c1nc2ccccc2s1.
What is the InChIKey of N-methyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine?
The InChIKey is UZQLUISWPCUNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c1-16(12-8-4-5-9-14-12)13-15-10-6-2-3-7-11(10)17-13/h2-9H,1H3.
What are the key properties of N-methyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine?
N-methyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine has a molecular weight of 241.32 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 145410692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).