2-chloro-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C7H9ClN2S — CID 84661798

IUPAC2-chloro-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESNC1CCCc2nc(Cl)sc21
InChIInChI=1S/C7H9ClN2S/c8-7-10-5-3-1-2-4(9)6(5)11-7/h4H,1-3,9H2
InChIKeyPIWVIUCHQABTMD-UHFFFAOYSA-N
MW188.68 g/mol
LogP2.13
Rot. Bonds

About 2-chloro-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

2-chloro-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 84661798) has the molecular formula C7H9ClN2S and a molecular weight of 188.68 g/mol. Its IUPAC name is 2-chloro-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-chloro-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID84661798
Molecular FormulaC7H9ClN2S
Molecular Weight188.68 g/mol
Exact Mass188.02
IUPAC Name2-chloro-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESNC1CCCc2nc(Cl)sc21
InChIInChI=1S/C7H9ClN2S/c8-7-10-5-3-1-2-4(9)6(5)11-7/h4H,1-3,9H2
InChIKeyPIWVIUCHQABTMD-UHFFFAOYSA-N
XLogP2.13
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.68
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4,5,6,7-tetrahydro-1,3-benzothiazole-7-carboxylic acid
CID 84683323
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 66371042
2-(furan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62080266
2-(1-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 79616010
2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 79413175
2-(5-methylthiophen-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62080443
2-[(2-chlorophenoxy)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 20982853
2-(2,6-difluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62079496
2-N-methyl-2-N-(oxolan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 82754200
2-(5-ethylfuran-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62345083
2-N-[1-(4-chlorophenyl)ethyl]-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62985641
2-(3-methylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62751878

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of 2-chloro-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 84661798) is 2-chloro-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-chloro-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-chloro-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is NC1CCCc2nc(Cl)sc21.
What is the InChIKey of 2-chloro-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is PIWVIUCHQABTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2S/c8-7-10-5-3-1-2-4(9)6(5)11-7/h4H,1-3,9H2.
What are the key properties of 2-chloro-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
2-chloro-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 188.68 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 84661798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).