5-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propyl-1,3-thiazol-2-amine

C17H30N2OS — CID 79762025

IUPAC5-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(COC2CC(C)CCC2C(C)C)s1
InChIInChI=1S/C17H30N2OS/c1-5-8-18-17-19-10-14(21-17)11-20-16-9-13(4)6-7-15(16)12(2)3/h10,12-13,15-16H,5-9,11H2,1-4H3,(H,18,19)
InChIKeyKMORZFZRPJGXBS-UHFFFAOYSA-N
MW310.51 g/mol
LogP4.94
Rot. Bonds7

About 5-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propyl-1,3-thiazol-2-amine

5-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 79762025) has the molecular formula C17H30N2OS and a molecular weight of 310.51 g/mol. Its IUPAC name is 5-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propyl-1,3-thiazol-2-amine
PubChem CID79762025
Molecular FormulaC17H30N2OS
Molecular Weight310.51 g/mol
Exact Mass310.21
IUPAC Name5-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(COC2CC(C)CCC2C(C)C)s1
InChIInChI=1S/C17H30N2OS/c1-5-8-18-17-19-10-14(21-17)11-20-16-9-13(4)6-7-15(16)12(2)3/h10,12-13,15-16H,5-9,11H2,1-4H3,(H,18,19)
InChIKeyKMORZFZRPJGXBS-UHFFFAOYSA-N
XLogP4.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propyl-1,3-thiazol-2-amine (CID 79762025) is 5-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(COC2CC(C)CCC2C(C)C)s1.
What is the InChIKey of 5-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is KMORZFZRPJGXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2OS/c1-5-8-18-17-19-10-14(21-17)11-20-16-9-13(4)6-7-15(16)12(2)3/h10,12-13,15-16H,5-9,11H2,1-4H3,(H,18,19).
What are the key properties of 5-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propyl-1,3-thiazol-2-amine?
5-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 310.51 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79762025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).