3-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide

C15H19N5OS — CID 126946397

IUPAC3-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCC2)N1CCC(n2cccn2)C1
InChIInChI=1S/C15H19N5OS/c21-15(18-14-17-12-4-1-2-5-13(12)22-14)19-9-6-11(10-19)20-8-3-7-16-20/h3,7-8,11H,1-2,4-6,9-10H2,(H,17,18,21)
InChIKeyHLPIPONEDKOVOS-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.70
Rot. Bonds2

About 3-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide

3-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 126946397) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is 3-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide
PubChem CID126946397
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name3-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCC2)N1CCC(n2cccn2)C1
InChIInChI=1S/C15H19N5OS/c21-15(18-14-17-12-4-1-2-5-13(12)22-14)19-9-6-11(10-19)20-8-3-7-16-20/h3,7-8,11H,1-2,4-6,9-10H2,(H,17,18,21)
InChIKeyHLPIPONEDKOVOS-UHFFFAOYSA-N
XLogP2.70
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)azetidine-1-carboxamide
CID 126900146
2-(3-pyrazol-1-ylpyrrolidin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 136544109
9-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 86778048
3-hydroxy-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-1-carboxamide
CID 91641522
3-pyrazol-1-yl-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 126946395
(3S)-3-pyridin-3-yloxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide
CID 97012552
3-[4-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)azetidine-1-carboxamide
CID 126945680
3-(cyclopropylmethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide
CID 121197644
(3S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81126323
4-pyridin-2-ylsulfanyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-1-carboxamide
CID 100908268
2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 86768177
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 71984857

Frequently Asked Questions

What is the IUPAC name of 3-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide (CID 126946397) is 3-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide is O=C(Nc1nc2c(s1)CCCC2)N1CCC(n2cccn2)C1.
What is the InChIKey of 3-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is HLPIPONEDKOVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c21-15(18-14-17-12-4-1-2-5-13(12)22-14)19-9-6-11(10-19)20-8-3-7-16-20/h3,7-8,11H,1-2,4-6,9-10H2,(H,17,18,21).
What are the key properties of 3-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide?
3-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 317.42 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 126946397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).