N-[(4-methoxyphenyl)methyl]-2,1-benzothiazol-3-amine

C15H14N2OS — CID 63373355

IUPACN-[(4-methoxyphenyl)methyl]-2,1-benzothiazol-3-amine
SMILESCOc1ccc(CNc2snc3ccccc23)cc1
InChIInChI=1S/C15H14N2OS/c1-18-12-8-6-11(7-9-12)10-16-15-13-4-2-3-5-14(13)17-19-15/h2-9,16H,10H2,1H3
InChIKeyUICLNCOQBYEMGG-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.92
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-2,1-benzothiazol-3-amine

N-[(4-methoxyphenyl)methyl]-2,1-benzothiazol-3-amine (PubChem CID 63373355) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2,1-benzothiazol-3-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2,1-benzothiazol-3-amine
PubChem CID63373355
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC NameN-[(4-methoxyphenyl)methyl]-2,1-benzothiazol-3-amine
SMILESCOc1ccc(CNc2snc3ccccc23)cc1
InChIInChI=1S/C15H14N2OS/c1-18-12-8-6-11(7-9-12)10-16-15-13-4-2-3-5-14(13)17-19-15/h2-9,16H,10H2,1H3
InChIKeyUICLNCOQBYEMGG-UHFFFAOYSA-N
XLogP3.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxypropyl)-2,1-benzothiazol-3-amine
CID 102699127
N-[(4-methoxyphenyl)methyl]-2-(2H-tetrazol-5-yl)quinazolin-4-amine
CID 68518029
N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 110432395
4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile
CID 78885590
2-benzyl-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 69221588
N-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]hydroxylamine
CID 71417770
2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 71690865
4-N-[(4-methoxyphenyl)methyl]-2-N-pyridin-4-ylquinazoline-2,4-diamine
CID 71690909
4-ethylsulfonyl-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-diamine
CID 103363537
N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 949742
N-(3,3-dimethylbutyl)-2,1-benzothiazol-3-amine
CID 115613150
3-[(2,1-benzothiazol-3-ylamino)methyl]benzoic acid
CID 66354212

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2,1-benzothiazol-3-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2,1-benzothiazol-3-amine (CID 63373355) is N-[(4-methoxyphenyl)methyl]-2,1-benzothiazol-3-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2,1-benzothiazol-3-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2,1-benzothiazol-3-amine is COc1ccc(CNc2snc3ccccc23)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2,1-benzothiazol-3-amine?
The InChIKey is UICLNCOQBYEMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-18-12-8-6-11(7-9-12)10-16-15-13-4-2-3-5-14(13)17-19-15/h2-9,16H,10H2,1H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-2,1-benzothiazol-3-amine?
N-[(4-methoxyphenyl)methyl]-2,1-benzothiazol-3-amine has a molecular weight of 270.36 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2,1-benzothiazol-3-amine is sourced from PubChem (CID 63373355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).