N-[(4-methylphenyl)methyl]-1,3-benzothiazol-6-amine

C15H14N2S — CID 103818874

IUPACN-[(4-methylphenyl)methyl]-1,3-benzothiazol-6-amine
SMILESCc1ccc(CNc2ccc3ncsc3c2)cc1
InChIInChI=1S/C15H14N2S/c1-11-2-4-12(5-3-11)9-16-13-6-7-14-15(8-13)18-10-17-14/h2-8,10,16H,9H2,1H3
InChIKeyAJHGHYKRKOFYRS-UHFFFAOYSA-N
MW254.36 g/mol
LogP4.22
Rot. Bonds3

About N-[(4-methylphenyl)methyl]-1,3-benzothiazol-6-amine

N-[(4-methylphenyl)methyl]-1,3-benzothiazol-6-amine (PubChem CID 103818874) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-1,3-benzothiazol-6-amine
PubChem CID103818874
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC NameN-[(4-methylphenyl)methyl]-1,3-benzothiazol-6-amine
SMILESCc1ccc(CNc2ccc3ncsc3c2)cc1
InChIInChI=1S/C15H14N2S/c1-11-2-4-12(5-3-11)9-16-13-6-7-14-15(8-13)18-10-17-14/h2-8,10,16H,9H2,1H3
InChIKeyAJHGHYKRKOFYRS-UHFFFAOYSA-N
XLogP4.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1,3-benzothiazol-6-ylamino)methyl]phenol
CID 103953931
N-[(4-methoxy-3-methylphenyl)methyl]-1,3-benzothiazol-6-amine
CID 103818846
4-[(1,3-benzothiazol-6-ylamino)methyl]-2-fluorophenol
CID 107803700
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1,3-benzothiazol-6-amine
CID 107803867
N-(3,3-dimethylbutyl)-1,3-benzothiazol-6-amine
CID 107803721
N-[(1-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine
CID 103818834
5-[(1,3-benzothiazol-6-ylamino)methyl]-2-bromo-3-methoxyphenol
CID 86579946
N-(1H-imidazol-2-ylmethyl)-1,3-benzothiazol-6-amine
CID 115744020
N-(2-methylpentyl)-1,3-benzothiazol-6-amine
CID 107803861
N-[(4,5-dibromofuran-2-yl)methyl]-1,3-benzothiazol-6-amine
CID 107804067
N-(1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 2337792
N-[2-(4-methoxyphenyl)ethyl]-1,3-benzothiazol-6-amine
CID 103731094

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-1,3-benzothiazol-6-amine?
The IUPAC name of N-[(4-methylphenyl)methyl]-1,3-benzothiazol-6-amine (CID 103818874) is N-[(4-methylphenyl)methyl]-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-1,3-benzothiazol-6-amine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-1,3-benzothiazol-6-amine is Cc1ccc(CNc2ccc3ncsc3c2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-1,3-benzothiazol-6-amine?
The InChIKey is AJHGHYKRKOFYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-11-2-4-12(5-3-11)9-16-13-6-7-14-15(8-13)18-10-17-14/h2-8,10,16H,9H2,1H3.
What are the key properties of N-[(4-methylphenyl)methyl]-1,3-benzothiazol-6-amine?
N-[(4-methylphenyl)methyl]-1,3-benzothiazol-6-amine has a molecular weight of 254.36 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-1,3-benzothiazol-6-amine is sourced from PubChem (CID 103818874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).