N-[(3-methyl-1,2-oxazol-4-yl)methyl]thietan-3-amine

C8H12N2OS — CID 131000683

IUPACN-[(3-methyl-1,2-oxazol-4-yl)methyl]thietan-3-amine
SMILESCc1nocc1CNC1CSC1
InChIInChI=1S/C8H12N2OS/c1-6-7(3-11-10-6)2-9-8-4-12-5-8/h3,8-9H,2,4-5H2,1H3
InChIKeyIUPUOUGKCOZJDW-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.19
Rot. Bonds3

About N-[(3-methyl-1,2-oxazol-4-yl)methyl]thietan-3-amine

N-[(3-methyl-1,2-oxazol-4-yl)methyl]thietan-3-amine (PubChem CID 131000683) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is N-[(3-methyl-1,2-oxazol-4-yl)methyl]thietan-3-amine.

Molecular Properties

Compound NameN-[(3-methyl-1,2-oxazol-4-yl)methyl]thietan-3-amine
PubChem CID131000683
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC NameN-[(3-methyl-1,2-oxazol-4-yl)methyl]thietan-3-amine
SMILESCc1nocc1CNC1CSC1
InChIInChI=1S/C8H12N2OS/c1-6-7(3-11-10-6)2-9-8-4-12-5-8/h3,8-9H,2,4-5H2,1H3
InChIKeyIUPUOUGKCOZJDW-UHFFFAOYSA-N
XLogP1.19
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-methyl-1,2-oxazol-4-yl)methyl]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

Related Compounds

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]thietan-3-amine
CID 130616420
3-methyl-N-[(3-methyl-1,2-oxazol-4-yl)methyl]-1,2,4-oxadiazol-5-amine
CID 130854750
N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]thietan-3-amine
CID 130622507
N-[(2,4-dichlorophenyl)methyl]thietan-3-amine
CID 130679532
N-[(2,4-difluorophenyl)methyl]thietan-3-amine
CID 130654551
3,4-dimethyl-N-[1-[(3-methyl-1,2-oxazol-4-yl)methylamino]spiro[3.3]heptan-3-yl]cyclohexane-1-carboxamide
CID 154855808
N-[2-(6-methyl-3-pyridinyl)ethyl]thietan-3-amine
CID 170899632
(4S)-3-[(3-methyl-1,2-oxazol-4-yl)methyl]-4-phenyl-1,3-oxazolidin-2-one
CID 141303370
N-(1,3-thiazol-4-ylmethyl)-1,4-dithiepan-6-amine
CID 122557869
N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiolan-3-amine
CID 61280795
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiolan-3-amine
CID 61014333
N-[(2,5-dimethylphenyl)methyl]thiolan-3-amine
CID 103701631

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2-oxazol-4-yl)methyl]thietan-3-amine?
The IUPAC name of N-[(3-methyl-1,2-oxazol-4-yl)methyl]thietan-3-amine (CID 131000683) is N-[(3-methyl-1,2-oxazol-4-yl)methyl]thietan-3-amine.
What is the SMILES notation for N-[(3-methyl-1,2-oxazol-4-yl)methyl]thietan-3-amine?
The canonical SMILES for N-[(3-methyl-1,2-oxazol-4-yl)methyl]thietan-3-amine is Cc1nocc1CNC1CSC1.
What is the InChIKey of N-[(3-methyl-1,2-oxazol-4-yl)methyl]thietan-3-amine?
The InChIKey is IUPUOUGKCOZJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-6-7(3-11-10-6)2-9-8-4-12-5-8/h3,8-9H,2,4-5H2,1H3.
What are the key properties of N-[(3-methyl-1,2-oxazol-4-yl)methyl]thietan-3-amine?
N-[(3-methyl-1,2-oxazol-4-yl)methyl]thietan-3-amine has a molecular weight of 184.26 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2-oxazol-4-yl)methyl]thietan-3-amine is sourced from PubChem (CID 131000683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).