4-methyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]cyclohexan-1-amine

C15H26N4S — CID 62614291

IUPAC4-methyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]cyclohexan-1-amine
SMILESCC1CCC(N)C(CN2CCN(c3nccs3)CC2)C1
InChIInChI=1S/C15H26N4S/c1-12-2-3-14(16)13(10-12)11-18-5-7-19(8-6-18)15-17-4-9-20-15/h4,9,12-14H,2-3,5-8,10-11,16H2,1H3
InChIKeyWGDLGUQLGWVXON-UHFFFAOYSA-N
MW294.47 g/mol
LogP2.03
Rot. Bonds3

About 4-methyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]cyclohexan-1-amine

4-methyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]cyclohexan-1-amine (PubChem CID 62614291) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is 4-methyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]cyclohexan-1-amine
PubChem CID62614291
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC Name4-methyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]cyclohexan-1-amine
SMILESCC1CCC(N)C(CN2CCN(c3nccs3)CC2)C1
InChIInChI=1S/C15H26N4S/c1-12-2-3-14(16)13(10-12)11-18-5-7-19(8-6-18)15-17-4-9-20-15/h4,9,12-14H,2-3,5-8,10-11,16H2,1H3
InChIKeyWGDLGUQLGWVXON-UHFFFAOYSA-N
XLogP2.03
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1,3-thiazole
CID 79385029
3,5-dimethyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]cyclohexan-1-ol
CID 64735470
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-methylcyclohexan-1-amine
CID 63026159
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 60885531
2-[4-(2-bromoethyl)piperazin-1-yl]-1,3-thiazole
CID 61288747
4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclohexan-1-amine
CID 62808150
2-[4-(3-chloropropyl)piperazin-1-yl]-1,3-thiazole
CID 15743929
1-(4-methylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanamine
CID 106313009
2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]piperazin-1-yl]-1,3-thiazole
CID 79611595
N'-[2-(4-methylpiperidin-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111056721
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
2-(4-methylsulfonylpiperidin-1-yl)-1,3-thiazole
CID 167862176

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]cyclohexan-1-amine?
The IUPAC name of 4-methyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]cyclohexan-1-amine (CID 62614291) is 4-methyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-methyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]cyclohexan-1-amine is CC1CCC(N)C(CN2CCN(c3nccs3)CC2)C1.
What is the InChIKey of 4-methyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]cyclohexan-1-amine?
The InChIKey is WGDLGUQLGWVXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c1-12-2-3-14(16)13(10-12)11-18-5-7-19(8-6-18)15-17-4-9-20-15/h4,9,12-14H,2-3,5-8,10-11,16H2,1H3.
What are the key properties of 4-methyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]cyclohexan-1-amine?
4-methyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]cyclohexan-1-amine has a molecular weight of 294.47 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 62614291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).