(4-cyclohexylpiperazin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone

C14H22N4OS — CID 71807179

IUPAC(4-cyclohexylpiperazin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone
SMILESCc1nsc(C(=O)N2CCN(C3CCCCC3)CC2)n1
InChIInChI=1S/C14H22N4OS/c1-11-15-13(20-16-11)14(19)18-9-7-17(8-10-18)12-5-3-2-4-6-12/h12H,2-10H2,1H3
InChIKeyDZQPKXAHXQJGNZ-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.94
Rot. Bonds2

About (4-cyclohexylpiperazin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone

(4-cyclohexylpiperazin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone (PubChem CID 71807179) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone
PubChem CID71807179
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name(4-cyclohexylpiperazin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone
SMILESCc1nsc(C(=O)N2CCN(C3CCCCC3)CC2)n1
InChIInChI=1S/C14H22N4OS/c1-11-15-13(20-16-11)14(19)18-9-7-17(8-10-18)12-5-3-2-4-6-12/h12H,2-10H2,1H3
InChIKeyDZQPKXAHXQJGNZ-UHFFFAOYSA-N
XLogP1.94
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyclopentylpiperazine-1-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 116697045
(4-cyclopentylpiperazin-1-yl)-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 80619747
(4-cyclopentylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 121184683
1-(4-cyclopentylpiperazin-1-yl)ethanone;ethane
CID 143413632
N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 97074415
1-(4-cycloheptylpiperazin-1-yl)-2-methylpropan-1-one
CID 59205252
1-(4-cyclohexylpiperazin-1-yl)propan-1-one
CID 113073042
(4-cyclopentylpiperazin-1-yl)-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 59338746
(4-cyclopentylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 55584701
cycloheptyl-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]methanone
CID 71926251
(4-cyclopentylpiperazin-1-yl)-(2-iodophenyl)methanone
CID 60735523
4-cyclohexyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide
CID 3066976

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone (CID 71807179) is (4-cyclohexylpiperazin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone is Cc1nsc(C(=O)N2CCN(C3CCCCC3)CC2)n1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone?
The InChIKey is DZQPKXAHXQJGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-11-15-13(20-16-11)14(19)18-9-7-17(8-10-18)12-5-3-2-4-6-12/h12H,2-10H2,1H3.
What are the key properties of (4-cyclohexylpiperazin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone?
(4-cyclohexylpiperazin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone has a molecular weight of 294.42 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone is sourced from PubChem (CID 71807179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).