N-(1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride

C12H14ClN3OS — CID 42933732

IUPACN-(1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nc2ccccc2s1)C1CCCN1
InChIInChI=1S/C12H13N3OS.ClH/c16-11(9-5-3-7-13-9)15-12-14-8-4-1-2-6-10(8)17-12;/h1-2,4,6,9,13H,3,5,7H2,(H,14,15,16);1H
InChIKeyFMSASSBIISVGDY-UHFFFAOYSA-N
MW283.78 g/mol
LogP2.41
Rot. Bonds2

About N-(1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride

N-(1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 42933732) has the molecular formula C12H14ClN3OS and a molecular weight of 283.78 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID42933732
Molecular FormulaC12H14ClN3OS
Molecular Weight283.78 g/mol
Exact Mass283.05
IUPAC NameN-(1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nc2ccccc2s1)C1CCCN1
InChIInChI=1S/C12H13N3OS.ClH/c16-11(9-5-3-7-13-9)15-12-14-8-4-1-2-6-10(8)17-12;/h1-2,4,6,9,13H,3,5,7H2,(H,14,15,16);1H
InChIKeyFMSASSBIISVGDY-UHFFFAOYSA-N
XLogP2.41
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride (CID 42933732) is N-(1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1nc2ccccc2s1)C1CCCN1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is FMSASSBIISVGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS.ClH/c16-11(9-5-3-7-13-9)15-12-14-8-4-1-2-6-10(8)17-12;/h1-2,4,6,9,13H,3,5,7H2,(H,14,15,16);1H.
What are the key properties of N-(1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride?
N-(1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 283.78 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 42933732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).