3-[2-(oxan-4-yl)-1,3-thiazol-4-yl]cyclobutan-1-amine

C12H18N2OS — CID 116888938

IUPAC3-[2-(oxan-4-yl)-1,3-thiazol-4-yl]cyclobutan-1-amine
SMILESNC1CC(c2csc(C3CCOCC3)n2)C1
InChIInChI=1S/C12H18N2OS/c13-10-5-9(6-10)11-7-16-12(14-11)8-1-3-15-4-2-8/h7-10H,1-6,13H2
InChIKeyZOQUOVITHKIABO-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.24
Rot. Bonds2

About 3-[2-(oxan-4-yl)-1,3-thiazol-4-yl]cyclobutan-1-amine

3-[2-(oxan-4-yl)-1,3-thiazol-4-yl]cyclobutan-1-amine (PubChem CID 116888938) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 3-[2-(oxan-4-yl)-1,3-thiazol-4-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[2-(oxan-4-yl)-1,3-thiazol-4-yl]cyclobutan-1-amine
PubChem CID116888938
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name3-[2-(oxan-4-yl)-1,3-thiazol-4-yl]cyclobutan-1-amine
SMILESNC1CC(c2csc(C3CCOCC3)n2)C1
InChIInChI=1S/C12H18N2OS/c13-10-5-9(6-10)11-7-16-12(14-11)8-1-3-15-4-2-8/h7-10H,1-6,13H2
InChIKeyZOQUOVITHKIABO-UHFFFAOYSA-N
XLogP2.24
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(oxan-4-yl)-2-piperidin-4-yl-1,3-thiazole
CID 116965399
4-(oxolan-3-yl)-2-piperidin-4-yl-1,3-thiazole
CID 104749815
4-(4-cyclohexyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 116965467
2,4-di(cyclobutyl)-1,3-thiazole
CID 130688661
4-methoxy-2-(oxan-4-yl)-1,3-thiazole
CID 116891853
2-[2-(oxan-4-yl)-1,3-thiazol-4-yl]ethanol
CID 115087796
[1-[2-(oxan-4-yl)-1,3-thiazol-4-yl]cyclopropyl]methanamine
CID 116890896
4-(oxan-4-yl)-2-(piperidin-4-ylmethyl)-1,3-thiazole
CID 116828968
3-(4-pyridin-4-yl-1,3-thiazol-2-yl)cyclobutan-1-amine
CID 116965519
3-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]morpholine;hydrochloride
CID 120581948
N-[[2-(oxan-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 62385749
3-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]cyclobutan-1-amine
CID 116893658

Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxan-4-yl)-1,3-thiazol-4-yl]cyclobutan-1-amine?
The IUPAC name of 3-[2-(oxan-4-yl)-1,3-thiazol-4-yl]cyclobutan-1-amine (CID 116888938) is 3-[2-(oxan-4-yl)-1,3-thiazol-4-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[2-(oxan-4-yl)-1,3-thiazol-4-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[2-(oxan-4-yl)-1,3-thiazol-4-yl]cyclobutan-1-amine is NC1CC(c2csc(C3CCOCC3)n2)C1.
What is the InChIKey of 3-[2-(oxan-4-yl)-1,3-thiazol-4-yl]cyclobutan-1-amine?
The InChIKey is ZOQUOVITHKIABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c13-10-5-9(6-10)11-7-16-12(14-11)8-1-3-15-4-2-8/h7-10H,1-6,13H2.
What are the key properties of 3-[2-(oxan-4-yl)-1,3-thiazol-4-yl]cyclobutan-1-amine?
3-[2-(oxan-4-yl)-1,3-thiazol-4-yl]cyclobutan-1-amine has a molecular weight of 238.36 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxan-4-yl)-1,3-thiazol-4-yl]cyclobutan-1-amine is sourced from PubChem (CID 116888938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).