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

C10H16N2OS — CID 63737210

IUPAC2-ethyl-4-(oxan-3-yl)-1,3-thiazol-5-amine
SMILESCCc1nc(C2CCCOC2)c(N)s1
InChIInChI=1S/C10H16N2OS/c1-2-8-12-9(10(11)14-8)7-4-3-5-13-6-7/h7H,2-6,11H2,1H3
InChIKeyCRJLIQYZSPFWLL-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.18
Rot. Bonds2

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

2-ethyl-4-(oxan-3-yl)-1,3-thiazol-5-amine (PubChem CID 63737210) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-ethyl-4-(oxan-3-yl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-ethyl-4-(oxan-3-yl)-1,3-thiazol-5-amine
PubChem CID63737210
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-ethyl-4-(oxan-3-yl)-1,3-thiazol-5-amine
SMILESCCc1nc(C2CCCOC2)c(N)s1
InChIInChI=1S/C10H16N2OS/c1-2-8-12-9(10(11)14-8)7-4-3-5-13-6-7/h7H,2-6,11H2,1H3
InChIKeyCRJLIQYZSPFWLL-UHFFFAOYSA-N
XLogP2.18
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(oxan-3-yl)-1,3-thiazol-5-amine?
The IUPAC name of 2-ethyl-4-(oxan-3-yl)-1,3-thiazol-5-amine (CID 63737210) is 2-ethyl-4-(oxan-3-yl)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-ethyl-4-(oxan-3-yl)-1,3-thiazol-5-amine?
The canonical SMILES for 2-ethyl-4-(oxan-3-yl)-1,3-thiazol-5-amine is CCc1nc(C2CCCOC2)c(N)s1.
What is the InChIKey of 2-ethyl-4-(oxan-3-yl)-1,3-thiazol-5-amine?
The InChIKey is CRJLIQYZSPFWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-2-8-12-9(10(11)14-8)7-4-3-5-13-6-7/h7H,2-6,11H2,1H3.
What are the key properties of 2-ethyl-4-(oxan-3-yl)-1,3-thiazol-5-amine?
2-ethyl-4-(oxan-3-yl)-1,3-thiazol-5-amine has a molecular weight of 212.32 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(oxan-3-yl)-1,3-thiazol-5-amine is sourced from PubChem (CID 63737210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).