4-(4,5-dimethyl-1,3-thiazol-2-yl)oxan-4-amine

C10H16N2OS — CID 61332257

IUPAC4-(4,5-dimethyl-1,3-thiazol-2-yl)oxan-4-amine
SMILESCc1nc(C2(N)CCOCC2)sc1C
InChIInChI=1S/C10H16N2OS/c1-7-8(2)14-9(12-7)10(11)3-5-13-6-4-10/h3-6,11H2,1-2H3
InChIKeyJXHMPSDQPGNPKD-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.72
Rot. Bonds1

About 4-(4,5-dimethyl-1,3-thiazol-2-yl)oxan-4-amine

4-(4,5-dimethyl-1,3-thiazol-2-yl)oxan-4-amine (PubChem CID 61332257) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 4-(4,5-dimethyl-1,3-thiazol-2-yl)oxan-4-amine.

Molecular Properties

Compound Name4-(4,5-dimethyl-1,3-thiazol-2-yl)oxan-4-amine
PubChem CID61332257
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name4-(4,5-dimethyl-1,3-thiazol-2-yl)oxan-4-amine
SMILESCc1nc(C2(N)CCOCC2)sc1C
InChIInChI=1S/C10H16N2OS/c1-7-8(2)14-9(12-7)10(11)3-5-13-6-4-10/h3-6,11H2,1-2H3
InChIKeyJXHMPSDQPGNPKD-UHFFFAOYSA-N
XLogP1.72
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)oxan-4-amine?
The IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)oxan-4-amine (CID 61332257) is 4-(4,5-dimethyl-1,3-thiazol-2-yl)oxan-4-amine.
What is the SMILES notation for 4-(4,5-dimethyl-1,3-thiazol-2-yl)oxan-4-amine?
The canonical SMILES for 4-(4,5-dimethyl-1,3-thiazol-2-yl)oxan-4-amine is Cc1nc(C2(N)CCOCC2)sc1C.
What is the InChIKey of 4-(4,5-dimethyl-1,3-thiazol-2-yl)oxan-4-amine?
The InChIKey is JXHMPSDQPGNPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-7-8(2)14-9(12-7)10(11)3-5-13-6-4-10/h3-6,11H2,1-2H3.
What are the key properties of 4-(4,5-dimethyl-1,3-thiazol-2-yl)oxan-4-amine?
4-(4,5-dimethyl-1,3-thiazol-2-yl)oxan-4-amine has a molecular weight of 212.32 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethyl-1,3-thiazol-2-yl)oxan-4-amine is sourced from PubChem (CID 61332257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).