4-(4-methyl-1,3-thiazol-2-yl)oxan-4-amine

C9H14N2OS — CID 61331850

IUPAC4-(4-methyl-1,3-thiazol-2-yl)oxan-4-amine
SMILESCc1csc(C2(N)CCOCC2)n1
InChIInChI=1S/C9H14N2OS/c1-7-6-13-8(11-7)9(10)2-4-12-5-3-9/h6H,2-5,10H2,1H3
InChIKeyVFKQEUXAKPHFRE-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.42
Rot. Bonds1

About 4-(4-methyl-1,3-thiazol-2-yl)oxan-4-amine

4-(4-methyl-1,3-thiazol-2-yl)oxan-4-amine (PubChem CID 61331850) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 4-(4-methyl-1,3-thiazol-2-yl)oxan-4-amine.

Molecular Properties

Compound Name4-(4-methyl-1,3-thiazol-2-yl)oxan-4-amine
PubChem CID61331850
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name4-(4-methyl-1,3-thiazol-2-yl)oxan-4-amine
SMILESCc1csc(C2(N)CCOCC2)n1
InChIInChI=1S/C9H14N2OS/c1-7-6-13-8(11-7)9(10)2-4-12-5-3-9/h6H,2-5,10H2,1H3
InChIKeyVFKQEUXAKPHFRE-UHFFFAOYSA-N
XLogP1.42
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,3-thiazol-2-yl)oxan-4-amine?
The IUPAC name of 4-(4-methyl-1,3-thiazol-2-yl)oxan-4-amine (CID 61331850) is 4-(4-methyl-1,3-thiazol-2-yl)oxan-4-amine.
What is the SMILES notation for 4-(4-methyl-1,3-thiazol-2-yl)oxan-4-amine?
The canonical SMILES for 4-(4-methyl-1,3-thiazol-2-yl)oxan-4-amine is Cc1csc(C2(N)CCOCC2)n1.
What is the InChIKey of 4-(4-methyl-1,3-thiazol-2-yl)oxan-4-amine?
The InChIKey is VFKQEUXAKPHFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-7-6-13-8(11-7)9(10)2-4-12-5-3-9/h6H,2-5,10H2,1H3.
What are the key properties of 4-(4-methyl-1,3-thiazol-2-yl)oxan-4-amine?
4-(4-methyl-1,3-thiazol-2-yl)oxan-4-amine has a molecular weight of 198.29 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,3-thiazol-2-yl)oxan-4-amine is sourced from PubChem (CID 61331850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).