2-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine

C13H13ClN2S — CID 82303981

IUPAC2-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
SMILESNC1CCc2nc(-c3ccccc3Cl)sc2C1
InChIInChI=1S/C13H13ClN2S/c14-10-4-2-1-3-9(10)13-16-11-6-5-8(15)7-12(11)17-13/h1-4,8H,5-7,15H2
InChIKeyNOSHAHGOECXAEV-UHFFFAOYSA-N
MW264.78 g/mol
LogP3.28
Rot. Bonds1

About 2-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine

2-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine (PubChem CID 82303981) has the molecular formula C13H13ClN2S and a molecular weight of 264.78 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
PubChem CID82303981
Molecular FormulaC13H13ClN2S
Molecular Weight264.78 g/mol
Exact Mass264.05
IUPAC Name2-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
SMILESNC1CCc2nc(-c3ccccc3Cl)sc2C1
InChIInChI=1S/C13H13ClN2S/c14-10-4-2-1-3-9(10)13-16-11-6-5-8(15)7-12(11)17-13/h1-4,8H,5-7,15H2
InChIKeyNOSHAHGOECXAEV-UHFFFAOYSA-N
XLogP3.28
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid
CID 82134970
(6S)-2-(5-chloro-2-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
CID 167782187
3-(6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phenol
CID 115066856
2-(2-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid
CID 82134922
2-(2-cyclopropylphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 79976761
3-[(6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]phenol
CID 115066915
2-[2-(2-chlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57420825
N-[(6S)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
CID 87189954
2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-amine
CID 96589922
1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine
CID 43556502
2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine
CID 115066207
2-N-prop-2-ynyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
CID 25056344

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine?
The IUPAC name of 2-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine (CID 82303981) is 2-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine is NC1CCc2nc(-c3ccccc3Cl)sc2C1.
What is the InChIKey of 2-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine?
The InChIKey is NOSHAHGOECXAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2S/c14-10-4-2-1-3-9(10)13-16-11-6-5-8(15)7-12(11)17-13/h1-4,8H,5-7,15H2.
What are the key properties of 2-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine?
2-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine has a molecular weight of 264.78 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine is sourced from PubChem (CID 82303981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).