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

C18H26N4OS — CID 56819721

IUPAC1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]cyclohexane-1-carbonitrile
SMILESCCc1nc(CN2CCN(C(=O)C3(C#N)CCCCC3)CC2)cs1
InChIInChI=1S/C18H26N4OS/c1-2-16-20-15(13-24-16)12-21-8-10-22(11-9-21)17(23)18(14-19)6-4-3-5-7-18/h13H,2-12H2,1H3
InChIKeyHYIBDRUSYBTWJV-UHFFFAOYSA-N
MW346.50 g/mol
LogP2.82
Rot. Bonds4

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

1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]cyclohexane-1-carbonitrile (PubChem CID 56819721) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is 1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]cyclohexane-1-carbonitrile
PubChem CID56819721
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]cyclohexane-1-carbonitrile
SMILESCCc1nc(CN2CCN(C(=O)C3(C#N)CCCCC3)CC2)cs1
InChIInChI=1S/C18H26N4OS/c1-2-16-20-15(13-24-16)12-21-8-10-22(11-9-21)17(23)18(14-19)6-4-3-5-7-18/h13H,2-12H2,1H3
InChIKeyHYIBDRUSYBTWJV-UHFFFAOYSA-N
XLogP2.82
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Cyclohexyl-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 51092653
N-methyl-N-(4-methylcyclohexyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 53544547
1-[4-[(2-Methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]cyclohexane-1-carbonitrile
CID 53606980
1-[4-(1,3-Thiazol-4-ylmethyl)-1,4-diazepane-1-carbonyl]cyclohexane-1-carbonitrile
CID 53609421
1-[4-(1,3-Thiazol-4-ylmethyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile
CID 56819264
1-[4-[(2-Ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]cyclopentane-1-carbonitrile
CID 56819378
1-[4-(4-Methyl-1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclohexane-1-carbonitrile
CID 56819709
1-[4-(1,3-Thiazol-4-ylmethyl)piperazine-1-carbonyl]cyclohexane-1-carbonitrile
CID 56819718
N-[[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide
CID 53149401
N-[[2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
CID 53149424
N-({2-[1-(cyclohexylcarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl}methyl)-2-methylpropanamide
CID 71842083
1-{4-[(4-Tert-butyl-1,3-thiazol-2-yl)methyl]-1-piperazinyl}-2-cyclohexyl-1-ethanone
CID 30860436

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]cyclohexane-1-carbonitrile?
The IUPAC name of 1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]cyclohexane-1-carbonitrile (CID 56819721) is 1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]cyclohexane-1-carbonitrile is CCc1nc(CN2CCN(C(=O)C3(C#N)CCCCC3)CC2)cs1.
What is the InChIKey of 1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]cyclohexane-1-carbonitrile?
The InChIKey is HYIBDRUSYBTWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-2-16-20-15(13-24-16)12-21-8-10-22(11-9-21)17(23)18(14-19)6-4-3-5-7-18/h13H,2-12H2,1H3.
What are the key properties of 1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]cyclohexane-1-carbonitrile?
1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]cyclohexane-1-carbonitrile has a molecular weight of 346.50 g/mol, XLogP of 2.82, 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]cyclohexane-1-carbonitrile is sourced from PubChem (CID 56819721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).