1-[4-(1,3-thiazol-4-ylmethyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile

C15H20N4OS — CID 56819264

IUPAC1-[4-(1,3-thiazol-4-ylmethyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCN(Cc3cscn3)CC2)CCCC1
InChIInChI=1S/C15H20N4OS/c16-11-15(3-1-2-4-15)14(20)19-7-5-18(6-8-19)9-13-10-21-12-17-13/h10,12H,1-9H2
InChIKeySESLCPPORNIBOS-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.87
Rot. Bonds3

About 1-[4-(1,3-thiazol-4-ylmethyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile

1-[4-(1,3-thiazol-4-ylmethyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile (PubChem CID 56819264) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-[4-(1,3-thiazol-4-ylmethyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-(1,3-thiazol-4-ylmethyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile
PubChem CID56819264
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name1-[4-(1,3-thiazol-4-ylmethyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCN(Cc3cscn3)CC2)CCCC1
InChIInChI=1S/C15H20N4OS/c16-11-15(3-1-2-4-15)14(20)19-7-5-18(6-8-19)9-13-10-21-12-17-13/h10,12H,1-9H2
InChIKeySESLCPPORNIBOS-UHFFFAOYSA-N
XLogP1.87
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(1,3-thiazol-4-ylmethyl)piperazine-1-carbonyl]cyclohexane-1-carbonitrile
CID 56819718
1-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]cyclohexane-1-carbonitrile
CID 56819704
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
CID 56819262
1-(piperidine-1-carbonyl)cyclopentane-1-carbonitrile
CID 51073773
1-[4-(1-cyanocyclopropanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carbonitrile
CID 118199294
1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclobutane-1-carbonitrile
CID 78994794
1-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]cyclohexane-1-carbonitrile
CID 95607164
N-[(1-phenylcyclopropyl)methyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide
CID 51125406
(4-ethylphenyl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
CID 47025132
4-[(4-benzylpiperazin-1-yl)methyl]-1,3-thiazole
CID 51073552
(4-amino-2-methylpyrimidin-5-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
CID 138034187
1-[(6R)-6-hydroxy-4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 97121644

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-thiazol-4-ylmethyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[4-(1,3-thiazol-4-ylmethyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile (CID 56819264) is 1-[4-(1,3-thiazol-4-ylmethyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[4-(1,3-thiazol-4-ylmethyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[4-(1,3-thiazol-4-ylmethyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile is N#CC1(C(=O)N2CCN(Cc3cscn3)CC2)CCCC1.
What is the InChIKey of 1-[4-(1,3-thiazol-4-ylmethyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile?
The InChIKey is SESLCPPORNIBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c16-11-15(3-1-2-4-15)14(20)19-7-5-18(6-8-19)9-13-10-21-12-17-13/h10,12H,1-9H2.
What are the key properties of 1-[4-(1,3-thiazol-4-ylmethyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile?
1-[4-(1,3-thiazol-4-ylmethyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile has a molecular weight of 304.42 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-thiazol-4-ylmethyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 56819264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).