3-methoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]butan-2-amine

C12H22N2OS — CID 115920923

IUPAC3-methoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]butan-2-amine
SMILESCOC(C)C(C)NC(C)(C)c1ncc(C)s1
InChIInChI=1S/C12H22N2OS/c1-8-7-13-11(16-8)12(4,5)14-9(2)10(3)15-6/h7,9-10,14H,1-6H3
InChIKeyKBSJHSIHAKPWDZ-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.70
Rot. Bonds5

About 3-methoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]butan-2-amine

3-methoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]butan-2-amine (PubChem CID 115920923) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 3-methoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]butan-2-amine.

Molecular Properties

Compound Name3-methoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]butan-2-amine
PubChem CID115920923
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name3-methoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]butan-2-amine
SMILESCOC(C)C(C)NC(C)(C)c1ncc(C)s1
InChIInChI=1S/C12H22N2OS/c1-8-7-13-11(16-8)12(4,5)14-9(2)10(3)15-6/h7,9-10,14H,1-6H3
InChIKeyKBSJHSIHAKPWDZ-UHFFFAOYSA-N
XLogP2.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]butan-2-amine?
The IUPAC name of 3-methoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]butan-2-amine (CID 115920923) is 3-methoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]butan-2-amine.
What is the SMILES notation for 3-methoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]butan-2-amine?
The canonical SMILES for 3-methoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]butan-2-amine is COC(C)C(C)NC(C)(C)c1ncc(C)s1.
What is the InChIKey of 3-methoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]butan-2-amine?
The InChIKey is KBSJHSIHAKPWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-8-7-13-11(16-8)12(4,5)14-9(2)10(3)15-6/h7,9-10,14H,1-6H3.
What are the key properties of 3-methoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]butan-2-amine?
3-methoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]butan-2-amine has a molecular weight of 242.39 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]butan-2-amine is sourced from PubChem (CID 115920923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).