2-cyclopentyl-4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole

C17H24N4S — CID 56825166

IUPAC2-cyclopentyl-4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCn1cc(C2CCCN2Cc2csc(C3CCCC3)n2)cn1
InChIInChI=1S/C17H24N4S/c1-20-10-14(9-18-20)16-7-4-8-21(16)11-15-12-22-17(19-15)13-5-2-3-6-13/h9-10,12-13,16H,2-8,11H2,1H3
InChIKeyJQBWIONSCXLHJH-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.87
Rot. Bonds4

About 2-cyclopentyl-4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole

2-cyclopentyl-4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole (PubChem CID 56825166) has the molecular formula C17H24N4S and a molecular weight of 316.47 g/mol. Its IUPAC name is 2-cyclopentyl-4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-cyclopentyl-4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
PubChem CID56825166
Molecular FormulaC17H24N4S
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name2-cyclopentyl-4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCn1cc(C2CCCN2Cc2csc(C3CCCC3)n2)cn1
InChIInChI=1S/C17H24N4S/c1-20-10-14(9-18-20)16-7-4-8-21(16)11-15-12-22-17(19-15)13-5-2-3-6-13/h9-10,12-13,16H,2-8,11H2,1H3
InChIKeyJQBWIONSCXLHJH-UHFFFAOYSA-N
XLogP3.87
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-cyclopentyl-4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole (CID 56825166) is 2-cyclopentyl-4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-cyclopentyl-4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-cyclopentyl-4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole is Cn1cc(C2CCCN2Cc2csc(C3CCCC3)n2)cn1.
What is the InChIKey of 2-cyclopentyl-4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is JQBWIONSCXLHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4S/c1-20-10-14(9-18-20)16-7-4-8-21(16)11-15-12-22-17(19-15)13-5-2-3-6-13/h9-10,12-13,16H,2-8,11H2,1H3.
What are the key properties of 2-cyclopentyl-4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
2-cyclopentyl-4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 316.47 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 56825166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).