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

C12H20N2OS — CID 115920919

IUPAC2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]oxolan-3-amine
SMILESCc1cnc(C(C)(C)NC2CCOC2C)s1
InChIInChI=1S/C12H20N2OS/c1-8-7-13-11(16-8)12(3,4)14-10-5-6-15-9(10)2/h7,9-10,14H,5-6H2,1-4H3
InChIKeyNGEQHHPEIGRNDF-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.45
Rot. Bonds3

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

2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]oxolan-3-amine (PubChem CID 115920919) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]oxolan-3-amine
PubChem CID115920919
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]oxolan-3-amine
SMILESCc1cnc(C(C)(C)NC2CCOC2C)s1
InChIInChI=1S/C12H20N2OS/c1-8-7-13-11(16-8)12(3,4)14-10-5-6-15-9(10)2/h7,9-10,14H,5-6H2,1-4H3
InChIKeyNGEQHHPEIGRNDF-UHFFFAOYSA-N
XLogP2.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]oxolan-3-amine?
The IUPAC name of 2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]oxolan-3-amine (CID 115920919) is 2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]oxolan-3-amine.
What is the SMILES notation for 2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]oxolan-3-amine?
The canonical SMILES for 2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]oxolan-3-amine is Cc1cnc(C(C)(C)NC2CCOC2C)s1.
What is the InChIKey of 2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]oxolan-3-amine?
The InChIKey is NGEQHHPEIGRNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-8-7-13-11(16-8)12(3,4)14-10-5-6-15-9(10)2/h7,9-10,14H,5-6H2,1-4H3.
What are the key properties of 2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]oxolan-3-amine?
2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]oxolan-3-amine has a molecular weight of 240.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]oxolan-3-amine is sourced from PubChem (CID 115920919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).