4-(oxolan-3-ylmethyl)-1,3-thiazol-2-amine

C8H12N2OS — CID 131127986

IUPAC4-(oxolan-3-ylmethyl)-1,3-thiazol-2-amine
SMILESNc1nc(CC2CCOC2)cs1
InChIInChI=1S/C8H12N2OS/c9-8-10-7(5-12-8)3-6-1-2-11-4-6/h5-6H,1-4H2,(H2,9,10)
InChIKeyZHEPGPFOXCJTKY-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.30
Rot. Bonds2

About 4-(oxolan-3-ylmethyl)-1,3-thiazol-2-amine

4-(oxolan-3-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 131127986) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 4-(oxolan-3-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(oxolan-3-ylmethyl)-1,3-thiazol-2-amine
PubChem CID131127986
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name4-(oxolan-3-ylmethyl)-1,3-thiazol-2-amine
SMILESNc1nc(CC2CCOC2)cs1
InChIInChI=1S/C8H12N2OS/c9-8-10-7(5-12-8)3-6-1-2-11-4-6/h5-6H,1-4H2,(H2,9,10)
InChIKeyZHEPGPFOXCJTKY-UHFFFAOYSA-N
XLogP1.30
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-Propyl-tetrahydro-pyran-4-yl)-thiazol-2-ylamine
CID 581496
2-Thiazolamine, 4-(tetrahydro-2H-pyran-4-yl)-
CID 911605
2-Thiazolamine, 4-[tetrahydro-2-(1-methylethyl)-2H-pyran-4-yl]-
CID 649965
Stk831378
CID 2833394
4-(2,2-Dimethyloxan-4-yl)-1,3-thiazol-2-amine
CID 648091
4-(Oxolan-3-yl)-1,3-thiazol-2-amine
CID 112562194
4-(Oxan-3-yl)-1,3-thiazol-2-amine
CID 112562196
4-((2S)-2-ethyl-2-methyltetrahydro-2H-pyran-4-yl)thiazol-2-amine
CID 16397086
2-[4-(Oxan-4-yl)-1,3-thiazol-2-yl]guanidine
CID 136519812
5-Fluoro-4-(oxolan-3-ylmethyl)-1,3-thiazol-2-amine
CID 178799429
4-[(2S,4S)-2-propyloxan-4-yl]-1,3-thiazol-2-amine
CID 816866
4-[(2R,4S)-2-propyloxan-4-yl]-1,3-thiazol-2-amine
CID 816869

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-3-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(oxolan-3-ylmethyl)-1,3-thiazol-2-amine (CID 131127986) is 4-(oxolan-3-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(oxolan-3-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(oxolan-3-ylmethyl)-1,3-thiazol-2-amine is Nc1nc(CC2CCOC2)cs1.
What is the InChIKey of 4-(oxolan-3-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is ZHEPGPFOXCJTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c9-8-10-7(5-12-8)3-6-1-2-11-4-6/h5-6H,1-4H2,(H2,9,10).
What are the key properties of 4-(oxolan-3-ylmethyl)-1,3-thiazol-2-amine?
4-(oxolan-3-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 184.26 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-3-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 131127986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).