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

C11H18N2OS — CID 2833394

IUPAC4-(2-ethyl-2-methyloxan-4-yl)-1,3-thiazol-2-amine
SMILESCCC1(C)CC(c2csc(N)n2)CCO1
InChIInChI=1S/C11H18N2OS/c1-3-11(2)6-8(4-5-14-11)9-7-15-10(12)13-9/h7-8H,3-6H2,1-2H3,(H2,12,13)
InChIKeyAECHTYJNUUZQBK-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.79
Rot. Bonds2

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

4-(2-ethyl-2-methyloxan-4-yl)-1,3-thiazol-2-amine (PubChem CID 2833394) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 4-(2-ethyl-2-methyloxan-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-ethyl-2-methyloxan-4-yl)-1,3-thiazol-2-amine
PubChem CID2833394
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name4-(2-ethyl-2-methyloxan-4-yl)-1,3-thiazol-2-amine
SMILESCCC1(C)CC(c2csc(N)n2)CCO1
InChIInChI=1S/C11H18N2OS/c1-3-11(2)6-8(4-5-14-11)9-7-15-10(12)13-9/h7-8H,3-6H2,1-2H3,(H2,12,13)
InChIKeyAECHTYJNUUZQBK-UHFFFAOYSA-N
XLogP2.79
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-2-methyloxan-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-ethyl-2-methyloxan-4-yl)-1,3-thiazol-2-amine (CID 2833394) is 4-(2-ethyl-2-methyloxan-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-ethyl-2-methyloxan-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-ethyl-2-methyloxan-4-yl)-1,3-thiazol-2-amine is CCC1(C)CC(c2csc(N)n2)CCO1.
What is the InChIKey of 4-(2-ethyl-2-methyloxan-4-yl)-1,3-thiazol-2-amine?
The InChIKey is AECHTYJNUUZQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-3-11(2)6-8(4-5-14-11)9-7-15-10(12)13-9/h7-8H,3-6H2,1-2H3,(H2,12,13).
What are the key properties of 4-(2-ethyl-2-methyloxan-4-yl)-1,3-thiazol-2-amine?
4-(2-ethyl-2-methyloxan-4-yl)-1,3-thiazol-2-amine has a molecular weight of 226.34 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-2-methyloxan-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2833394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).