cyclopentyl-[4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone

C18H21N3O2S2 — CID 36512943

IUPACcyclopentyl-[4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1csc(-c2ccsc2)n1)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C18H21N3O2S2/c22-17(13-3-1-2-4-13)20-6-8-21(9-7-20)18(23)15-12-25-16(19-15)14-5-10-24-11-14/h5,10-13H,1-4,6-9H2
InChIKeyFQRFYMQIINJHOK-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.35
Rot. Bonds3

About cyclopentyl-[4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone

cyclopentyl-[4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone (PubChem CID 36512943) has the molecular formula C18H21N3O2S2 and a molecular weight of 375.52 g/mol. Its IUPAC name is cyclopentyl-[4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone
PubChem CID36512943
Molecular FormulaC18H21N3O2S2
Molecular Weight375.52 g/mol
Exact Mass375.11
IUPAC Namecyclopentyl-[4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1csc(-c2ccsc2)n1)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C18H21N3O2S2/c22-17(13-3-1-2-4-13)20-6-8-21(9-7-20)18(23)15-12-25-16(19-15)14-5-10-24-11-14/h5,10-13H,1-4,6-9H2
InChIKeyFQRFYMQIINJHOK-UHFFFAOYSA-N
XLogP3.35
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone (CID 36512943) is cyclopentyl-[4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone is O=C(c1csc(-c2ccsc2)n1)N1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of cyclopentyl-[4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone?
The InChIKey is FQRFYMQIINJHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S2/c22-17(13-3-1-2-4-13)20-6-8-21(9-7-20)18(23)15-12-25-16(19-15)14-5-10-24-11-14/h5,10-13H,1-4,6-9H2.
What are the key properties of cyclopentyl-[4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone?
cyclopentyl-[4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone has a molecular weight of 375.52 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 36512943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).