[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone

C15H14N4OS2 — CID 91788421

IUPAC[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccsc2)n[nH]1)N1CCCC1c1nccs1
InChIInChI=1S/C15H14N4OS2/c20-15(12-8-11(17-18-12)10-3-6-21-9-10)19-5-1-2-13(19)14-16-4-7-22-14/h3-4,6-9,13H,1-2,5H2,(H,17,18)
InChIKeyALCYELOATDFSRI-UHFFFAOYSA-N
MW330.44 g/mol
LogP3.57
Rot. Bonds3

About [2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone

[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone (PubChem CID 91788421) has the molecular formula C15H14N4OS2 and a molecular weight of 330.44 g/mol. Its IUPAC name is [2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone
PubChem CID91788421
Molecular FormulaC15H14N4OS2
Molecular Weight330.44 g/mol
Exact Mass330.06
IUPAC Name[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccsc2)n[nH]1)N1CCCC1c1nccs1
InChIInChI=1S/C15H14N4OS2/c20-15(12-8-11(17-18-12)10-3-6-21-9-10)19-5-1-2-13(19)14-16-4-7-22-14/h3-4,6-9,13H,1-2,5H2,(H,17,18)
InChIKeyALCYELOATDFSRI-UHFFFAOYSA-N
XLogP3.57
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-pyridin-2-ylpiperidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone
CID 99971779
[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone
CID 99977800
5-chloro-3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 29181945
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70717848
N-(1-pyrimidin-2-ylpiperidin-3-yl)-3-thiophen-3-yl-1H-pyrazole-5-carboxamide
CID 91789002
[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
CID 124940543
[3-(2-methylphenyl)piperidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone
CID 70757998
(5-cyclohexyl-1H-pyrazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 97110192
cyclohexyl 2-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate
CID 58171477
2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 66584691
[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone
CID 92693104
3-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137086651

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone?
The IUPAC name of [2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone (CID 91788421) is [2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for [2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone is O=C(c1cc(-c2ccsc2)n[nH]1)N1CCCC1c1nccs1.
What is the InChIKey of [2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone?
The InChIKey is ALCYELOATDFSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS2/c20-15(12-8-11(17-18-12)10-3-6-21-9-10)19-5-1-2-13(19)14-16-4-7-22-14/h3-4,6-9,13H,1-2,5H2,(H,17,18).
What are the key properties of [2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone?
[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone has a molecular weight of 330.44 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 91788421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).