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

C17H24N4S — CID 164638579

IUPAC2-cyclopentyl-4-[[(3S)-3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cnn([C@H]2CCN(Cc3csc(C4CCCC4)n3)C2)c1
InChIInChI=1S/C17H24N4S/c1-13-8-18-21(9-13)16-6-7-20(11-16)10-15-12-22-17(19-15)14-4-2-3-5-14/h8-9,12,14,16H,2-7,10-11H2,1H3/t16-/m0/s1
InChIKeyODAACBRWYYSJOC-INIZCTEOSA-N
MW316.47 g/mol
LogP3.75
Rot. Bonds4

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

2-cyclopentyl-4-[[(3S)-3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole (PubChem CID 164638579) has the molecular formula C17H24N4S and a molecular weight of 316.47 g/mol. Its IUPAC name is 2-cyclopentyl-4-[[(3S)-3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-cyclopentyl-4-[[(3S)-3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
PubChem CID164638579
Molecular FormulaC17H24N4S
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name2-cyclopentyl-4-[[(3S)-3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cnn([C@H]2CCN(Cc3csc(C4CCCC4)n3)C2)c1
InChIInChI=1S/C17H24N4S/c1-13-8-18-21(9-13)16-6-7-20(11-16)10-15-12-22-17(19-15)14-4-2-3-5-14/h8-9,12,14,16H,2-7,10-11H2,1H3/t16-/m0/s1
InChIKeyODAACBRWYYSJOC-INIZCTEOSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-[[(3S)-3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-cyclopentyl-4-[[(3S)-3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole (CID 164638579) is 2-cyclopentyl-4-[[(3S)-3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-cyclopentyl-4-[[(3S)-3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-cyclopentyl-4-[[(3S)-3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole is Cc1cnn([C@H]2CCN(Cc3csc(C4CCCC4)n3)C2)c1.
What is the InChIKey of 2-cyclopentyl-4-[[(3S)-3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is ODAACBRWYYSJOC-INIZCTEOSA-N. The full InChI is InChI=1S/C17H24N4S/c1-13-8-18-21(9-13)16-6-7-20(11-16)10-15-12-22-17(19-15)14-4-2-3-5-14/h8-9,12,14,16H,2-7,10-11H2,1H3/t16-/m0/s1.
What are the key properties of 2-cyclopentyl-4-[[(3S)-3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
2-cyclopentyl-4-[[(3S)-3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 316.47 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-[[(3S)-3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 164638579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).