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

C14H23N3S — CID 171701816

IUPAC2-(4-cyclohexylpiperazin-1-yl)-5-methyl-1,3-thiazole
SMILESCc1cnc(N2CCN(C3CCCCC3)CC2)s1
InChIInChI=1S/C14H23N3S/c1-12-11-15-14(18-12)17-9-7-16(8-10-17)13-5-3-2-4-6-13/h11,13H,2-10H2,1H3
InChIKeyUCLWXKJTNIJOIE-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.91
Rot. Bonds2

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

2-(4-cyclohexylpiperazin-1-yl)-5-methyl-1,3-thiazole (PubChem CID 171701816) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 2-(4-cyclohexylpiperazin-1-yl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-cyclohexylpiperazin-1-yl)-5-methyl-1,3-thiazole
PubChem CID171701816
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name2-(4-cyclohexylpiperazin-1-yl)-5-methyl-1,3-thiazole
SMILESCc1cnc(N2CCN(C3CCCCC3)CC2)s1
InChIInChI=1S/C14H23N3S/c1-12-11-15-14(18-12)17-9-7-16(8-10-17)13-5-3-2-4-6-13/h11,13H,2-10H2,1H3
InChIKeyUCLWXKJTNIJOIE-UHFFFAOYSA-N
XLogP2.91
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-cyclobutylpiperidin-4-yl)-5-methyl-1,3-thiazole
CID 71134865
5-chloro-2-(4-cyclohexylpiperazin-1-yl)-4-methyl-1,3-benzothiazole
CID 121083667
cyclopropyl-[4-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 165434688
5-methyl-2-(3-methylpyrrolidin-1-yl)-1,3-thiazole
CID 126995565
[1-(5-methyl-1,3-thiazol-2-yl)piperidin-3-yl]methanol
CID 175647955
2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-methyl-1,3-thiazole
CID 166199646
2-(4-cyclopentylpiperazin-1-yl)-1,3,4-thiadiazole
CID 121184724
[2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62753857
1,1,3-trimethyl-3-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]urea
CID 166603326
1-cyclohexyl-4-(4-methylphenyl)piperazine
CID 20655127
methyl 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-thiazole-5-carboxylate
CID 80572590
N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 79924400

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-5-methyl-1,3-thiazole?
The IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-5-methyl-1,3-thiazole (CID 171701816) is 2-(4-cyclohexylpiperazin-1-yl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-(4-cyclohexylpiperazin-1-yl)-5-methyl-1,3-thiazole?
The canonical SMILES for 2-(4-cyclohexylpiperazin-1-yl)-5-methyl-1,3-thiazole is Cc1cnc(N2CCN(C3CCCCC3)CC2)s1.
What is the InChIKey of 2-(4-cyclohexylpiperazin-1-yl)-5-methyl-1,3-thiazole?
The InChIKey is UCLWXKJTNIJOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-12-11-15-14(18-12)17-9-7-16(8-10-17)13-5-3-2-4-6-13/h11,13H,2-10H2,1H3.
What are the key properties of 2-(4-cyclohexylpiperazin-1-yl)-5-methyl-1,3-thiazole?
2-(4-cyclohexylpiperazin-1-yl)-5-methyl-1,3-thiazole has a molecular weight of 265.43 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylpiperazin-1-yl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 171701816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).