7-chloro-N-(2-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine

C14H12ClN3S — CID 60912919

IUPAC7-chloro-N-(2-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine
SMILESClc1cccc2nc(NCCc3cccnc3)sc12
InChIInChI=1S/C14H12ClN3S/c15-11-4-1-5-12-13(11)19-14(18-12)17-8-6-10-3-2-7-16-9-10/h1-5,7,9H,6,8H2,(H,17,18)
InChIKeyWQKGYENXWGKNDK-UHFFFAOYSA-N
MW289.79 g/mol
LogP4.00
Rot. Bonds4

About 7-chloro-N-(2-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine

7-chloro-N-(2-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine (PubChem CID 60912919) has the molecular formula C14H12ClN3S and a molecular weight of 289.79 g/mol. Its IUPAC name is 7-chloro-N-(2-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name7-chloro-N-(2-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine
PubChem CID60912919
Molecular FormulaC14H12ClN3S
Molecular Weight289.79 g/mol
Exact Mass289.04
IUPAC Name7-chloro-N-(2-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine
SMILESClc1cccc2nc(NCCc3cccnc3)sc12
InChIInChI=1S/C14H12ClN3S/c15-11-4-1-5-12-13(11)19-14(18-12)17-8-6-10-3-2-7-16-9-10/h1-5,7,9H,6,8H2,(H,17,18)
InChIKeyWQKGYENXWGKNDK-UHFFFAOYSA-N
XLogP4.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(2-pyridin-3-ylethyl)pyridin-2-amine
CID 60914274
4,6-dichloro-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 58508229
3,4-dichloro-N-(2-pyridin-3-ylethyl)aniline
CID 63265162
N-(2-pyridin-3-ylethyl)-1,3-thiazol-2-amine
CID 60754112
2-chloro-1-N-(2-pyridin-3-ylethyl)benzene-1,4-diamine
CID 55026530
6-ethoxy-N-(2-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine
CID 79516074
2-chloro-4-methyl-N-(2-pyridin-3-ylethyl)aniline
CID 63265079
3-chloro-4-fluoro-N-(2-pyridin-3-ylethyl)aniline
CID 83107487
2,6-dichloro-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
CID 59258790
2,6-difluoro-N-(2-pyridin-3-ylethyl)aniline
CID 55169588
7-chloro-N-[(1-methylimidazol-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 55171385
N-(2-pyridin-3-ylethyl)-1,3-benzoxazol-2-amine
CID 47184699

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(2-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 7-chloro-N-(2-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine (CID 60912919) is 7-chloro-N-(2-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 7-chloro-N-(2-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 7-chloro-N-(2-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine is Clc1cccc2nc(NCCc3cccnc3)sc12.
What is the InChIKey of 7-chloro-N-(2-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine?
The InChIKey is WQKGYENXWGKNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3S/c15-11-4-1-5-12-13(11)19-14(18-12)17-8-6-10-3-2-7-16-9-10/h1-5,7,9H,6,8H2,(H,17,18).
What are the key properties of 7-chloro-N-(2-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine?
7-chloro-N-(2-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine has a molecular weight of 289.79 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(2-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 60912919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).