2-cyclopentyl-1-[4-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone

C19H30N4OS — CID 53158495

IUPAC2-cyclopentyl-1-[4-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCN(c2nc(CN3CCCC3)cs2)CC1
InChIInChI=1S/C19H30N4OS/c24-18(13-16-5-1-2-6-16)22-9-11-23(12-10-22)19-20-17(15-25-19)14-21-7-3-4-8-21/h15-16H,1-14H2
InChIKeyGSGYISQODNHSHZ-UHFFFAOYSA-N
MW362.54 g/mol
LogP2.97
Rot. Bonds5

About 2-cyclopentyl-1-[4-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone

2-cyclopentyl-1-[4-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone (PubChem CID 53158495) has the molecular formula C19H30N4OS and a molecular weight of 362.54 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
PubChem CID53158495
Molecular FormulaC19H30N4OS
Molecular Weight362.54 g/mol
Exact Mass362.21
IUPAC Name2-cyclopentyl-1-[4-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCN(c2nc(CN3CCCC3)cs2)CC1
InChIInChI=1S/C19H30N4OS/c24-18(13-16-5-1-2-6-16)22-9-11-23(12-10-22)19-20-17(15-25-19)14-21-7-3-4-8-21/h15-16H,1-14H2
InChIKeyGSGYISQODNHSHZ-UHFFFAOYSA-N
XLogP2.97
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1S,3R)-3-amino-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 56908759
N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 25468437
1-[4-(4-Methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile
CID 35165637
1-[4-(4-Methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclohexane-1-carbonitrile
CID 56819709
1-{2-[1-(4-Methyl-1,3-thiazol-2-YL)piperidin-4-YL]ethyl}pyrrolidin-2-one
CID 70754973
[4-[4-(Azepan-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-cyclohexylmethanone
CID 53158607
2-Cyclohexyl-1-{4-[4-(1-pyrrolidinylmethyl)-1,3-thiazol-2-YL]piperazino}-1-ethanone
CID 53158498
Cyclopentyl-[4-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158499
Cyclohexyl{4-[4-(piperidinomethyl)-1,3-thiazol-2-YL]piperazino}methanone
CID 53158522
2-Cyclohexyl-1-{4-[4-(piperidinomethyl)-1,3-thiazol-2-yl]piperazino}-1-ethanone
CID 53158535
Cyclopropyl-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158537
Cyclobutyl-[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158539

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[4-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone (CID 53158495) is 2-cyclopentyl-1-[4-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[4-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[4-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone is O=C(CC1CCCC1)N1CCN(c2nc(CN3CCCC3)cs2)CC1.
What is the InChIKey of 2-cyclopentyl-1-[4-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone?
The InChIKey is GSGYISQODNHSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4OS/c24-18(13-16-5-1-2-6-16)22-9-11-23(12-10-22)19-20-17(15-25-19)14-21-7-3-4-8-21/h15-16H,1-14H2.
What are the key properties of 2-cyclopentyl-1-[4-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone?
2-cyclopentyl-1-[4-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone has a molecular weight of 362.54 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 53158495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).