1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]cyclopentane-1-carbonitrile

C17H24N4OS — CID 56819378

IUPAC1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]cyclopentane-1-carbonitrile
SMILESCCc1nc(CN2CCN(C(=O)C3(C#N)CCCC3)CC2)cs1
InChIInChI=1S/C17H24N4OS/c1-2-15-19-14(12-23-15)11-20-7-9-21(10-8-20)16(22)17(13-18)5-3-4-6-17/h12H,2-11H2,1H3
InChIKeyZUXPTVUSBSXGIO-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.43
Rot. Bonds4

About 1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]cyclopentane-1-carbonitrile

1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]cyclopentane-1-carbonitrile (PubChem CID 56819378) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]cyclopentane-1-carbonitrile
PubChem CID56819378
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]cyclopentane-1-carbonitrile
SMILESCCc1nc(CN2CCN(C(=O)C3(C#N)CCCC3)CC2)cs1
InChIInChI=1S/C17H24N4OS/c1-2-15-19-14(12-23-15)11-20-7-9-21(10-8-20)16(22)17(13-18)5-3-4-6-17/h12H,2-11H2,1H3
InChIKeyZUXPTVUSBSXGIO-UHFFFAOYSA-N
XLogP2.43
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]cyclopentane-1-carbonitrile (CID 56819378) is 1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]cyclopentane-1-carbonitrile is CCc1nc(CN2CCN(C(=O)C3(C#N)CCCC3)CC2)cs1.
What is the InChIKey of 1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]cyclopentane-1-carbonitrile?
The InChIKey is ZUXPTVUSBSXGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-2-15-19-14(12-23-15)11-20-7-9-21(10-8-20)16(22)17(13-18)5-3-4-6-17/h12H,2-11H2,1H3.
What are the key properties of 1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]cyclopentane-1-carbonitrile?
1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]cyclopentane-1-carbonitrile has a molecular weight of 332.47 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 56819378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).