N-(6-acetamido-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide

C14H16N4O2S — CID 119277660

IUPACN-(6-acetamido-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)C3CCCN3)sc2c1
InChIInChI=1S/C14H16N4O2S/c1-8(19)16-9-4-5-10-12(7-9)21-14(17-10)18-13(20)11-3-2-6-15-11/h4-5,7,11,15H,2-3,6H2,1H3,(H,16,19)(H,17,18,20)
InChIKeyYJSLIQDHTLQGNS-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.95
Rot. Bonds3

About N-(6-acetamido-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide

N-(6-acetamido-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 119277660) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-(6-acetamido-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(6-acetamido-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID119277660
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC NameN-(6-acetamido-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)C3CCCN3)sc2c1
InChIInChI=1S/C14H16N4O2S/c1-8(19)16-9-4-5-10-12(7-9)21-14(17-10)18-13(20)11-3-2-6-15-11/h4-5,7,11,15H,2-3,6H2,1H3,(H,16,19)(H,17,18,20)
InChIKeyYJSLIQDHTLQGNS-UHFFFAOYSA-N
XLogP1.95
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(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
N-(2-propan-2-yl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119306074
N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 18071816
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
N-(5-acetamido-2-chlorophenyl)pyrrolidine-2-carboxamide
CID 119280739
N-(6-acetamido-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 3329466
N-(2-methyl-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide
CID 83627392
N-(2H-benzotriazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119280134
N-[2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-6-yl]acetamide
CID 50882316
N-(3,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 42943662
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 46290994

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide (CID 119277660) is N-(6-acetamido-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(6-acetamido-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(6-acetamido-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide is CC(=O)Nc1ccc2nc(NC(=O)C3CCCN3)sc2c1.
What is the InChIKey of N-(6-acetamido-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is YJSLIQDHTLQGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-8(19)16-9-4-5-10-12(7-9)21-14(17-10)18-13(20)11-3-2-6-15-11/h4-5,7,11,15H,2-3,6H2,1H3,(H,16,19)(H,17,18,20).
What are the key properties of N-(6-acetamido-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide?
N-(6-acetamido-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 119277660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).