N-(1H-imidazol-2-ylmethyl)-1,3-benzothiazol-6-amine

C11H10N4S — CID 115744020

IUPACN-(1H-imidazol-2-ylmethyl)-1,3-benzothiazol-6-amine
SMILESc1c[nH]c(CNc2ccc3ncsc3c2)n1
InChIInChI=1S/C11H10N4S/c1-2-9-10(16-7-15-9)5-8(1)14-6-11-12-3-4-13-11/h1-5,7,14H,6H2,(H,12,13)
InChIKeyQQNQJHFSZOAOPJ-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.63
Rot. Bonds3

About N-(1H-imidazol-2-ylmethyl)-1,3-benzothiazol-6-amine

N-(1H-imidazol-2-ylmethyl)-1,3-benzothiazol-6-amine (PubChem CID 115744020) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-1,3-benzothiazol-6-amine
PubChem CID115744020
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC NameN-(1H-imidazol-2-ylmethyl)-1,3-benzothiazol-6-amine
SMILESc1c[nH]c(CNc2ccc3ncsc3c2)n1
InChIInChI=1S/C11H10N4S/c1-2-9-10(16-7-15-9)5-8(1)14-6-11-12-3-4-13-11/h1-5,7,14H,6H2,(H,12,13)
InChIKeyQQNQJHFSZOAOPJ-UHFFFAOYSA-N
XLogP2.63
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1H-imidazol-2-ylmethyl)-1,3-benzothiazol-6-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

4-[(1,3-benzothiazol-6-ylamino)methyl]phenol
CID 103953931
N-[(4-methylphenyl)methyl]-1,3-benzothiazol-6-amine
CID 103818874
N-(quinolin-2-ylmethyl)-1,3-benzothiazol-6-amine
CID 103818915
4-fluoro-N-(1H-imidazol-2-ylmethyl)-3-methylaniline
CID 62809674
3-(1,3-benzothiazol-6-ylamino)propane-1,2-diol
CID 107804909
N-[(2-bromo-4-chlorophenyl)methyl]-1,3-benzothiazol-6-amine
CID 107804033
N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzothiazol-6-amine
CID 103756695
N-(3,3-dimethylbutyl)-1,3-benzothiazol-6-amine
CID 107803721
N-[(1-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine
CID 103818834
N-[(4-chloro-2-fluorophenyl)methyl]-1,3-benzothiazol-6-amine
CID 107804043
N-[(2-bromo-5-chlorophenyl)methyl]-1,3-benzothiazol-6-amine
CID 107803729
4-[(1,3-benzothiazol-6-ylamino)methyl]-2-fluorophenol
CID 107803700

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-1,3-benzothiazol-6-amine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-1,3-benzothiazol-6-amine (CID 115744020) is N-(1H-imidazol-2-ylmethyl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-1,3-benzothiazol-6-amine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-1,3-benzothiazol-6-amine is c1c[nH]c(CNc2ccc3ncsc3c2)n1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-1,3-benzothiazol-6-amine?
The InChIKey is QQNQJHFSZOAOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S/c1-2-9-10(16-7-15-9)5-8(1)14-6-11-12-3-4-13-11/h1-5,7,14H,6H2,(H,12,13).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-1,3-benzothiazol-6-amine?
N-(1H-imidazol-2-ylmethyl)-1,3-benzothiazol-6-amine has a molecular weight of 230.30 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 115744020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).