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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-Propyl-tetrahydro-pyran-4-yl)-thiazol-2-ylamine
CID 581496
2-Thiazolamine, 4-(tetrahydro-2H-pyran-4-yl)-
CID 911605
2-Thiazolamine, 4-[tetrahydro-2-(1-methylethyl)-2H-pyran-4-yl]-
CID 649965
4-(2,2-Dimethyloxan-4-yl)-1,3-thiazol-2-amine
CID 648091
Thiazole, 2-methyl-4-(tetrahydro-2,2-dimethyl-2H-pyran-4-yl)-
CID 2861810
4-(Oxan-3-yl)-1,3-thiazol-2-amine
CID 112562196
Thiazole, 4-(2-ethyltetrahydro-2-methyl-2H-pyran-4-yl)-2-methyl-
CID 2861819
Ethyl 5-(2-guanidinothiazol-4-yl)pentanoimidate
CID 12805996
4-((2S)-2-ethyl-2-methyltetrahydro-2H-pyran-4-yl)thiazol-2-amine
CID 16397086
2-[4-(Oxan-4-yl)-1,3-thiazol-2-yl]guanidine
CID 136519812
Methyl 5-(2-guanidinothiazol-4-yl)pentanoimidate
CID 12805994
4-(3-Methoxycyclohexyl)-1,3-thiazol-2-amine
CID 58955392

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).