N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]thietan-3-amine

C9H14N2OS — CID 130621345

IUPACN-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]thietan-3-amine
SMILESCc1cc(C(C)NC2CSC2)no1
InChIInChI=1S/C9H14N2OS/c1-6-3-9(11-12-6)7(2)10-8-4-13-5-8/h3,7-8,10H,4-5H2,1-2H3
InChIKeyRLBLATDGSVYXFB-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.75
Rot. Bonds3

About N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]thietan-3-amine

N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]thietan-3-amine (PubChem CID 130621345) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]thietan-3-amine.

Molecular Properties

Compound NameN-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]thietan-3-amine
PubChem CID130621345
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC NameN-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]thietan-3-amine
SMILESCc1cc(C(C)NC2CSC2)no1
InChIInChI=1S/C9H14N2OS/c1-6-3-9(11-12-6)7(2)10-8-4-13-5-8/h3,7-8,10H,4-5H2,1-2H3
InChIKeyRLBLATDGSVYXFB-UHFFFAOYSA-N
XLogP1.75
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]thietan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]thietan-3-amine?
The IUPAC name of N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]thietan-3-amine (CID 130621345) is N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]thietan-3-amine.
What is the SMILES notation for N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]thietan-3-amine?
The canonical SMILES for N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]thietan-3-amine is Cc1cc(C(C)NC2CSC2)no1.
What is the InChIKey of N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]thietan-3-amine?
The InChIKey is RLBLATDGSVYXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-6-3-9(11-12-6)7(2)10-8-4-13-5-8/h3,7-8,10H,4-5H2,1-2H3.
What are the key properties of N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]thietan-3-amine?
N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]thietan-3-amine has a molecular weight of 198.29 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]thietan-3-amine is sourced from PubChem (CID 130621345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).