N-[(2-methylphenyl)methyl]-1,3-benzothiazol-2-amine

C15H14N2S — CID 32680270

IUPACN-[(2-methylphenyl)methyl]-1,3-benzothiazol-2-amine
SMILESCc1ccccc1CNc1nc2ccccc2s1
InChIInChI=1S/C15H14N2S/c1-11-6-2-3-7-12(11)10-16-15-17-13-8-4-5-9-14(13)18-15/h2-9H,10H2,1H3,(H,16,17)
InChIKeyWLBPEVZRFSVDDN-UHFFFAOYSA-N
MW254.36 g/mol
LogP4.22
Rot. Bonds3

About N-[(2-methylphenyl)methyl]-1,3-benzothiazol-2-amine

N-[(2-methylphenyl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 32680270) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-1,3-benzothiazol-2-amine
PubChem CID32680270
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC NameN-[(2-methylphenyl)methyl]-1,3-benzothiazol-2-amine
SMILESCc1ccccc1CNc1nc2ccccc2s1
InChIInChI=1S/C15H14N2S/c1-11-6-2-3-7-12(11)10-16-15-17-13-8-4-5-9-14(13)18-15/h2-9H,10H2,1H3,(H,16,17)
InChIKeyWLBPEVZRFSVDDN-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

N-benzyl-1,3-benzothiazol-2-amine
CID 617555
1-[2-[(1,3-benzothiazol-2-ylamino)methyl]phenyl]-N-methylmethanesulfonamide
CID 47015531
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1,3-benzothiazol-2-amine
CID 60504601
N-[(6-methyl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine
CID 47283149
ethyl 2-[(2-methylphenyl)methylamino]-1,3-benzothiazole-6-carboxylate
CID 110827349
3-[(1,3-benzothiazol-2-ylamino)methyl]-4,6-dimethyl-1H-pyridin-2-one
CID 86768157
N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 1090335
N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 42281689
4-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 60723741
N-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazol-2-amine
CID 142733943
N-[[4-(2-aminoethyl)phenyl]methyl]-1,3-benzothiazol-2-amine
CID 62503193
N-[(1-methylimidazol-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 63239425

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[(2-methylphenyl)methyl]-1,3-benzothiazol-2-amine (CID 32680270) is N-[(2-methylphenyl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[(2-methylphenyl)methyl]-1,3-benzothiazol-2-amine is Cc1ccccc1CNc1nc2ccccc2s1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is WLBPEVZRFSVDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-11-6-2-3-7-12(11)10-16-15-17-13-8-4-5-9-14(13)18-15/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of N-[(2-methylphenyl)methyl]-1,3-benzothiazol-2-amine?
N-[(2-methylphenyl)methyl]-1,3-benzothiazol-2-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-[(2-methylphenyl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 32680270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).