3-cyclohexyl-5-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole

C15H21N5S — CID 128849814

IUPAC3-cyclohexyl-5-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole
SMILESc1cc(C2CCCN2c2nc(C3CCCCC3)ns2)[nH]n1
InChIInChI=1S/C15H21N5S/c1-2-5-11(6-3-1)14-17-15(21-19-14)20-10-4-7-13(20)12-8-9-16-18-12/h8-9,11,13H,1-7,10H2,(H,16,18)
InChIKeyCSPGRZHCYOAQCE-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.65
Rot. Bonds3

About 3-cyclohexyl-5-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole

3-cyclohexyl-5-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole (PubChem CID 128849814) has the molecular formula C15H21N5S and a molecular weight of 303.43 g/mol. Its IUPAC name is 3-cyclohexyl-5-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclohexyl-5-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole
PubChem CID128849814
Molecular FormulaC15H21N5S
Molecular Weight303.43 g/mol
Exact Mass303.15
IUPAC Name3-cyclohexyl-5-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole
SMILESc1cc(C2CCCN2c2nc(C3CCCCC3)ns2)[nH]n1
InChIInChI=1S/C15H21N5S/c1-2-5-11(6-3-1)14-17-15(21-19-14)20-10-4-7-13(20)12-8-9-16-18-12/h8-9,11,13H,1-7,10H2,(H,16,18)
InChIKeyCSPGRZHCYOAQCE-UHFFFAOYSA-N
XLogP3.65
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-5-[2-(1H-pyrazol-4-yl)piperidin-1-yl]-1,2,4-thiadiazole
CID 133429079
(2R)-1-cyclopentyl-2-(1H-pyrazol-5-yl)piperidine
CID 95808772
[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methanol
CID 65274940
5-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-3-cyclopropyl-1,2,4-thiadiazole
CID 103198225
1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-N-methylmethanamine
CID 65280462
(2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124944774
2-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol
CID 95841214
5-[1-(2-methylpropyl)pyrrolidin-2-yl]-1H-pyrazole
CID 110255983
2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-2-phenylacetonitrile
CID 133428267
[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 65276198
N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 65280581
3-cyclohexyl-5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)azetidin-1-yl]-1,2,4-thiadiazole
CID 138019483

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-cyclohexyl-5-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole (CID 128849814) is 3-cyclohexyl-5-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclohexyl-5-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclohexyl-5-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole is c1cc(C2CCCN2c2nc(C3CCCCC3)ns2)[nH]n1.
What is the InChIKey of 3-cyclohexyl-5-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole?
The InChIKey is CSPGRZHCYOAQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-2-5-11(6-3-1)14-17-15(21-19-14)20-10-4-7-13(20)12-8-9-16-18-12/h8-9,11,13H,1-7,10H2,(H,16,18).
What are the key properties of 3-cyclohexyl-5-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole?
3-cyclohexyl-5-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole has a molecular weight of 303.43 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 128849814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).