3-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methyl]phenol

C15H14N2OS — CID 43682648

IUPAC3-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methyl]phenol
SMILESCc1nc2ccc(NCc3cccc(O)c3)cc2s1
InChIInChI=1S/C15H14N2OS/c1-10-17-14-6-5-12(8-15(14)19-10)16-9-11-3-2-4-13(18)7-11/h2-8,16,18H,9H2,1H3
InChIKeyMLTCPSHHLNXCCI-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.92
Rot. Bonds3

About 3-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methyl]phenol

3-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methyl]phenol (PubChem CID 43682648) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 3-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methyl]phenol.

Molecular Properties

Compound Name3-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methyl]phenol
PubChem CID43682648
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name3-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methyl]phenol
SMILESCc1nc2ccc(NCc3cccc(O)c3)cc2s1
InChIInChI=1S/C15H14N2OS/c1-10-17-14-6-5-12(8-15(14)19-10)16-9-11-3-2-4-13(18)7-11/h2-8,16,18H,9H2,1H3
InChIKeyMLTCPSHHLNXCCI-UHFFFAOYSA-N
XLogP3.92
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43231098
N-[(4-bromo-3-fluorophenyl)methyl]-2-methyl-1,3-benzothiazol-6-amine
CID 81437224
5-[(3-hydroxyphenyl)methylamino]-2-methylphenol
CID 22983329
N-(1H-indol-5-ylmethyl)-2-methyl-1,3-benzothiazol-6-amine
CID 102909567
2-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-6-amine
CID 43682641
3-[(3-hydroxyanilino)methyl]phenol
CID 21321439
N'-(2-methyl-1,3-benzothiazol-6-yl)-N-[(3-methylphenyl)methyl]oxamide
CID 71894677
3-[(naphthalen-2-ylamino)methyl]phenol
CID 43680286
N-[(2,4-difluorophenyl)methyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43682594
N-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-1,3-benzothiazol-6-amine
CID 114841659
2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine
CID 43682709
N-[(3-aminothiophen-2-yl)methyl]-2-methyl-1,3-benzothiazol-6-amine
CID 66387136

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methyl]phenol?
The IUPAC name of 3-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methyl]phenol (CID 43682648) is 3-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methyl]phenol.
What is the SMILES notation for 3-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methyl]phenol?
The canonical SMILES for 3-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methyl]phenol is Cc1nc2ccc(NCc3cccc(O)c3)cc2s1.
What is the InChIKey of 3-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methyl]phenol?
The InChIKey is MLTCPSHHLNXCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-10-17-14-6-5-12(8-15(14)19-10)16-9-11-3-2-4-13(18)7-11/h2-8,16,18H,9H2,1H3.
What are the key properties of 3-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methyl]phenol?
3-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methyl]phenol has a molecular weight of 270.36 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methyl]phenol is sourced from PubChem (CID 43682648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).