1-[2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-4-yl]-N-methylmethanamine

C13H22N2OS — CID 116774708

IUPAC1-[2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-4-yl]-N-methylmethanamine
SMILESCNCc1csc(C2(OC)CCC(C)CC2)n1
InChIInChI=1S/C13H22N2OS/c1-10-4-6-13(16-3,7-5-10)12-15-11(8-14-2)9-17-12/h9-10,14H,4-8H2,1-3H3
InChIKeyYCHDIUHFRFSXHE-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.91
Rot. Bonds4

About 1-[2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-4-yl]-N-methylmethanamine

1-[2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-4-yl]-N-methylmethanamine (PubChem CID 116774708) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 1-[2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-4-yl]-N-methylmethanamine
PubChem CID116774708
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name1-[2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-4-yl]-N-methylmethanamine
SMILESCNCc1csc(C2(OC)CCC(C)CC2)n1
InChIInChI=1S/C13H22N2OS/c1-10-4-6-13(16-3,7-5-10)12-15-11(8-14-2)9-17-12/h9-10,14H,4-8H2,1-3H3
InChIKeyYCHDIUHFRFSXHE-UHFFFAOYSA-N
XLogP2.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 116774707
N-[[2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116774736
2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazole-4-carbaldehyde
CID 116744654
1-[2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116774317
1-[4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366904
[2-(1-methoxycyclobutyl)-1,3-thiazol-4-yl]methanamine
CID 116727873
4-(chloromethyl)-2-(1-methoxycycloheptyl)-1,3-thiazole
CID 116744317
N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116774721
1-[2-(1-methoxy-4-methylcyclohexyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 116779383
methyl 3-[2-(1-amino-4-methylcyclohexyl)-1,3-thiazol-4-yl]propanoate
CID 107039449
2-[2-(1-methoxycycloheptyl)-1,3-thiazol-4-yl]acetic acid
CID 116744490
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride
CID 74892089

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-4-yl]-N-methylmethanamine (CID 116774708) is 1-[2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-4-yl]-N-methylmethanamine is CNCc1csc(C2(OC)CCC(C)CC2)n1.
What is the InChIKey of 1-[2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The InChIKey is YCHDIUHFRFSXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-10-4-6-13(16-3,7-5-10)12-15-11(8-14-2)9-17-12/h9-10,14H,4-8H2,1-3H3.
What are the key properties of 1-[2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-4-yl]-N-methylmethanamine?
1-[2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-4-yl]-N-methylmethanamine has a molecular weight of 254.40 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 116774708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).