N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride

C15H20ClN3OS — CID 119306074

IUPACN-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(C)c1nc2ccc(NC(=O)C3CCCN3)cc2s1.Cl
InChIInChI=1S/C15H19N3OS.ClH/c1-9(2)15-18-11-6-5-10(8-13(11)20-15)17-14(19)12-4-3-7-16-12;/h5-6,8-9,12,16H,3-4,7H2,1-2H3,(H,17,19);1H
InChIKeyYNOILWJDPMSMKC-UHFFFAOYSA-N
MW325.87 g/mol
LogP3.53
Rot. Bonds3

About N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride

N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119306074) has the molecular formula C15H20ClN3OS and a molecular weight of 325.87 g/mol. Its IUPAC name is N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119306074
Molecular FormulaC15H20ClN3OS
Molecular Weight325.87 g/mol
Exact Mass325.10
IUPAC NameN-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(C)c1nc2ccc(NC(=O)C3CCCN3)cc2s1.Cl
InChIInChI=1S/C15H19N3OS.ClH/c1-9(2)15-18-11-6-5-10(8-13(11)20-15)17-14(19)12-4-3-7-16-12;/h5-6,8-9,12,16H,3-4,7H2,1-2H3,(H,17,19);1H
InChIKeyYNOILWJDPMSMKC-UHFFFAOYSA-N
XLogP3.53
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.87
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-acetamido-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 119277660
N-(2H-benzotriazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119280134
(2S)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119674535
N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119263420
2-N-methyl-1-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-1,2-dicarboxamide
CID 71921022
1-amino-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 119753611
1-cyclopropyl-5-oxo-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide
CID 71884515
N-(2-methyl-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide
CID 83627392
N-(3,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 42943662
1-piperidin-4-yl-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)triazole-4-carboxamide;hydrochloride
CID 119753620
N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 119321690
N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 18071816

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride (CID 119306074) is N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride is CC(C)c1nc2ccc(NC(=O)C3CCCN3)cc2s1.Cl.
What is the InChIKey of N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is YNOILWJDPMSMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS.ClH/c1-9(2)15-18-11-6-5-10(8-13(11)20-15)17-14(19)12-4-3-7-16-12;/h5-6,8-9,12,16H,3-4,7H2,1-2H3,(H,17,19);1H.
What are the key properties of N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride?
N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 325.87 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119306074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).