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

C14H11ClN2S — CID 156786534

IUPACN-[(3-chlorophenyl)methyl]-1,2-benzothiazol-3-amine
SMILESClc1cccc(CNc2nsc3ccccc23)c1
InChIInChI=1S/C14H11ClN2S/c15-11-5-3-4-10(8-11)9-16-14-12-6-1-2-7-13(12)18-17-14/h1-8H,9H2,(H,16,17)
InChIKeyKXBCWOWUWWHEFI-UHFFFAOYSA-N
MW274.78 g/mol
LogP4.56
Rot. Bonds3

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

N-[(3-chlorophenyl)methyl]-1,2-benzothiazol-3-amine (PubChem CID 156786534) has the molecular formula C14H11ClN2S and a molecular weight of 274.78 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1,2-benzothiazol-3-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1,2-benzothiazol-3-amine
PubChem CID156786534
Molecular FormulaC14H11ClN2S
Molecular Weight274.78 g/mol
Exact Mass274.03
IUPAC NameN-[(3-chlorophenyl)methyl]-1,2-benzothiazol-3-amine
SMILESClc1cccc(CNc2nsc3ccccc23)c1
InChIInChI=1S/C14H11ClN2S/c15-11-5-3-4-10(8-11)9-16-14-12-6-1-2-7-13(12)18-17-14/h1-8H,9H2,(H,16,17)
InChIKeyKXBCWOWUWWHEFI-UHFFFAOYSA-N
XLogP4.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.78
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-[(3-chlorophenyl)methyl]-1,2-thiazole-3,5-diamine
CID 103361005
N-[(3-chlorophenyl)methyl]-2-hydrazinylquinazolin-4-amine
CID 80903388
4-N-benzyl-2-N-(3-chlorophenyl)quinazoline-2,4-diamine;hydrochloride
CID 44658873
N-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine
CID 56683447
N-benzyl-2-[(3-chlorophenyl)methyl]quinazolin-4-amine
CID 58523909
N-[(3-chlorophenyl)methyl]quinolin-4-amine
CID 62538449
N-[(3-chlorophenyl)methyl]-3-methylpyridin-2-amine
CID 60704963
2-N-[(3-chlorophenyl)methyl]pyridine-2,3-diamine
CID 62537408
2-(1-benzothiophen-3-yl)-N-[(3-chlorophenyl)methyl]acetamide
CID 4119329
5-bromo-N-[(3-chlorophenyl)methyl]pyrimidin-4-amine
CID 66341926
3-N-[(3-chlorophenyl)methyl]-1,4-dimethylidenenaphthalene-2,3-diamine
CID 155327556
4-N-[(3-chlorophenyl)methyl]-6-N,5-diethylpyrimidine-4,6-diamine
CID 80833431

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1,2-benzothiazol-3-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1,2-benzothiazol-3-amine (CID 156786534) is N-[(3-chlorophenyl)methyl]-1,2-benzothiazol-3-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1,2-benzothiazol-3-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1,2-benzothiazol-3-amine is Clc1cccc(CNc2nsc3ccccc23)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1,2-benzothiazol-3-amine?
The InChIKey is KXBCWOWUWWHEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2S/c15-11-5-3-4-10(8-11)9-16-14-12-6-1-2-7-13(12)18-17-14/h1-8H,9H2,(H,16,17).
What are the key properties of N-[(3-chlorophenyl)methyl]-1,2-benzothiazol-3-amine?
N-[(3-chlorophenyl)methyl]-1,2-benzothiazol-3-amine has a molecular weight of 274.78 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1,2-benzothiazol-3-amine is sourced from PubChem (CID 156786534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).