(3R)-1-(1,2-benzothiazol-3-yl)pyrrolidin-3-amine;hydrochloride

C11H14ClN3S — CID 71643811

IUPAC(3R)-1-(1,2-benzothiazol-3-yl)pyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CCN(c2nsc3ccccc23)C1
InChIInChI=1S/C11H13N3S.ClH/c12-8-5-6-14(7-8)11-9-3-1-2-4-10(9)15-13-11;/h1-4,8H,5-7,12H2;1H/t8-;/m1./s1
InChIKeyKUIQPJXTTLHEPV-DDWIOCJRSA-N
MW255.77 g/mol
LogP2.26
Rot. Bonds1

About (3R)-1-(1,2-benzothiazol-3-yl)pyrrolidin-3-amine;hydrochloride

(3R)-1-(1,2-benzothiazol-3-yl)pyrrolidin-3-amine;hydrochloride (PubChem CID 71643811) has the molecular formula C11H14ClN3S and a molecular weight of 255.77 g/mol. Its IUPAC name is (3R)-1-(1,2-benzothiazol-3-yl)pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-1-(1,2-benzothiazol-3-yl)pyrrolidin-3-amine;hydrochloride
PubChem CID71643811
Molecular FormulaC11H14ClN3S
Molecular Weight255.77 g/mol
Exact Mass255.06
IUPAC Name(3R)-1-(1,2-benzothiazol-3-yl)pyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CCN(c2nsc3ccccc23)C1
InChIInChI=1S/C11H13N3S.ClH/c12-8-5-6-14(7-8)11-9-3-1-2-4-10(9)15-13-11;/h1-4,8H,5-7,12H2;1H/t8-;/m1./s1
InChIKeyKUIQPJXTTLHEPV-DDWIOCJRSA-N
XLogP2.26
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1,2-benzothiazol-3-yl)pyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3R)-1-(1,2-benzothiazol-3-yl)pyrrolidin-3-amine;hydrochloride (CID 71643811) is (3R)-1-(1,2-benzothiazol-3-yl)pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3R)-1-(1,2-benzothiazol-3-yl)pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3R)-1-(1,2-benzothiazol-3-yl)pyrrolidin-3-amine;hydrochloride is Cl.N[C@@H]1CCN(c2nsc3ccccc23)C1.
What is the InChIKey of (3R)-1-(1,2-benzothiazol-3-yl)pyrrolidin-3-amine;hydrochloride?
The InChIKey is KUIQPJXTTLHEPV-DDWIOCJRSA-N. The full InChI is InChI=1S/C11H13N3S.ClH/c12-8-5-6-14(7-8)11-9-3-1-2-4-10(9)15-13-11;/h1-4,8H,5-7,12H2;1H/t8-;/m1./s1.
What are the key properties of (3R)-1-(1,2-benzothiazol-3-yl)pyrrolidin-3-amine;hydrochloride?
(3R)-1-(1,2-benzothiazol-3-yl)pyrrolidin-3-amine;hydrochloride has a molecular weight of 255.77 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1,2-benzothiazol-3-yl)pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 71643811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).