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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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).