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

C7H11ClN2S — CID 2823910

IUPAC4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydrochloride
SMILESCl.Nc1nc2c(s1)CCCC2
InChIInChI=1S/C7H10N2S.ClH/c8-7-9-5-3-1-2-4-6(5)10-7;/h1-4H2,(H2,8,9);1H
InChIKeyCLQLOFQYFKYTJP-UHFFFAOYSA-N
MW190.70 g/mol
LogP2.03
Rot. Bonds

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

4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydrochloride (PubChem CID 2823910) has the molecular formula C7H11ClN2S and a molecular weight of 190.70 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydrochloride
PubChem CID2823910
Molecular FormulaC7H11ClN2S
Molecular Weight190.70 g/mol
Exact Mass190.03
IUPAC Name4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydrochloride
SMILESCl.Nc1nc2c(s1)CCCC2
InChIInChI=1S/C7H10N2S.ClH/c8-7-9-5-3-1-2-4-6(5)10-7;/h1-4H2,(H2,8,9);1H
InChIKeyCLQLOFQYFKYTJP-UHFFFAOYSA-N
XLogP2.03
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.70
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydrochloride?
The IUPAC name of 4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydrochloride (CID 2823910) is 4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydrochloride.
What is the SMILES notation for 4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydrochloride?
The canonical SMILES for 4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydrochloride is Cl.Nc1nc2c(s1)CCCC2.
What is the InChIKey of 4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydrochloride?
The InChIKey is CLQLOFQYFKYTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S.ClH/c8-7-9-5-3-1-2-4-6(5)10-7;/h1-4H2,(H2,8,9);1H.
What are the key properties of 4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydrochloride?
4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydrochloride has a molecular weight of 190.70 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydrochloride is sourced from PubChem (CID 2823910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).