4,5-dimethyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)-1,3-thiazole

C12H16N4S — CID 126946675

IUPAC4,5-dimethyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)-1,3-thiazole
SMILESCc1nc(N2CCC(n3cccn3)C2)sc1C
InChIInChI=1S/C12H16N4S/c1-9-10(2)17-12(14-9)15-7-4-11(8-15)16-6-3-5-13-16/h3,5-6,11H,4,7-8H2,1-2H3
InChIKeyLUUCVIMIDHORDC-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.41
Rot. Bonds2

About 4,5-dimethyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)-1,3-thiazole

4,5-dimethyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)-1,3-thiazole (PubChem CID 126946675) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 4,5-dimethyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)-1,3-thiazole
PubChem CID126946675
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name4,5-dimethyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)-1,3-thiazole
SMILESCc1nc(N2CCC(n3cccn3)C2)sc1C
InChIInChI=1S/C12H16N4S/c1-9-10(2)17-12(14-9)15-7-4-11(8-15)16-6-3-5-13-16/h3,5-6,11H,4,7-8H2,1-2H3
InChIKeyLUUCVIMIDHORDC-UHFFFAOYSA-N
XLogP2.41
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-pyrazol-1-ylpiperidin-1-yl)-1,3-benzothiazole
CID 133275836
2-methyl-4-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine
CID 126946437
4,5-dimethyl-2-[(3R)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-1,3-thiazole
CID 164639571
1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-amine
CID 65169125
4-methyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)quinoline
CID 126946631
1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-amine
CID 65168620
2-methyl-3-(3-pyrazol-1-ylpiperidin-1-yl)quinoxaline
CID 133275794
2-methyl-4-(3-pyrazol-1-ylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrazine
CID 126946467
4,5-dimethyl-2-(3-piperazin-1-ylazetidin-1-yl)-1,3-thiazole
CID 66196014
3-chloro-4-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine
CID 126946420
1-[1-(4-methylphenyl)tetrazol-5-yl]-4-pyrazol-1-ylpiperidine
CID 133277918
3-methyl-6-(3-pyrazol-1-ylpyrrolidin-1-yl)-1H-pyrimidine-2,4-dione
CID 126946488

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)-1,3-thiazole (CID 126946675) is 4,5-dimethyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)-1,3-thiazole is Cc1nc(N2CCC(n3cccn3)C2)sc1C.
What is the InChIKey of 4,5-dimethyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)-1,3-thiazole?
The InChIKey is LUUCVIMIDHORDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-9-10(2)17-12(14-9)15-7-4-11(8-15)16-6-3-5-13-16/h3,5-6,11H,4,7-8H2,1-2H3.
What are the key properties of 4,5-dimethyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)-1,3-thiazole?
4,5-dimethyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)-1,3-thiazole has a molecular weight of 248.35 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 126946675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).