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

C16H22N4OS — CID 56819709

IUPAC1-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclohexane-1-carbonitrile
SMILESCc1csc(N2CCN(C(=O)C3(C#N)CCCCC3)CC2)n1
InChIInChI=1S/C16H22N4OS/c1-13-11-22-15(18-13)20-9-7-19(8-10-20)14(21)16(12-17)5-3-2-4-6-16/h11H,2-10H2,1H3
InChIKeyCVIXVDRAAHDWKX-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.57
Rot. Bonds2

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

1-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclohexane-1-carbonitrile (PubChem CID 56819709) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclohexane-1-carbonitrile
PubChem CID56819709
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name1-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclohexane-1-carbonitrile
SMILESCc1csc(N2CCN(C(=O)C3(C#N)CCCCC3)CC2)n1
InChIInChI=1S/C16H22N4OS/c1-13-11-22-15(18-13)20-9-7-19(8-10-20)14(21)16(12-17)5-3-2-4-6-16/h11H,2-10H2,1H3
InChIKeyCVIXVDRAAHDWKX-UHFFFAOYSA-N
XLogP2.57
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1R,2R)-N-(1-cyanocyclopropyl)-2-[4-(4-ethyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 70686820
trans-(1R,2R)-2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]-N-(1-cyanocyclopropyl)cyclohexane-1-carboxamide
CID 70693115
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)-1,4-diazepane-1-carbonyl]cyclopentane-1-carbonitrile
CID 56819300
1-[4-(1,3-Thiazol-4-ylmethyl)piperazine-1-carbonyl]cyclohexane-1-carbonitrile
CID 56819718
1-[4-(4-Methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]cyclohexane-1-carbonitrile
CID 56819720
1-[4-[(2-Ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]cyclohexane-1-carbonitrile
CID 56819721
[4-[4-(Azepan-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-cyclohexylmethanone
CID 53158607
2-Cyclopentyl-1-[4-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 53158495
2-Cyclohexyl-1-{4-[4-(1-pyrrolidinylmethyl)-1,3-thiazol-2-YL]piperazino}-1-ethanone
CID 53158498
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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclohexane-1-carbonitrile?
The IUPAC name of 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclohexane-1-carbonitrile (CID 56819709) is 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclohexane-1-carbonitrile is Cc1csc(N2CCN(C(=O)C3(C#N)CCCCC3)CC2)n1.
What is the InChIKey of 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclohexane-1-carbonitrile?
The InChIKey is CVIXVDRAAHDWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-13-11-22-15(18-13)20-9-7-19(8-10-20)14(21)16(12-17)5-3-2-4-6-16/h11H,2-10H2,1H3.
What are the key properties of 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclohexane-1-carbonitrile?
1-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclohexane-1-carbonitrile has a molecular weight of 318.45 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 56819709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).