(4S)-N-(2,2-diethyloxan-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

C15H28N2OS — CID 83028201

IUPAC(4S)-N-(2,2-diethyloxan-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1(CC)CC(NC2=N[C@@H](C(C)C)CS2)CCO1
InChIInChI=1S/C15H28N2OS/c1-5-15(6-2)9-12(7-8-18-15)16-14-17-13(10-19-14)11(3)4/h11-13H,5-10H2,1-4H3,(H,16,17)/t12?,13-/m1/s1
InChIKeyFNBGGMSTXYBSOJ-ZGTCLIOFSA-N
MW284.47 g/mol
LogP3.44
Rot. Bonds4

About (4S)-N-(2,2-diethyloxan-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

(4S)-N-(2,2-diethyloxan-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 83028201) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is (4S)-N-(2,2-diethyloxan-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name(4S)-N-(2,2-diethyloxan-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID83028201
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC Name(4S)-N-(2,2-diethyloxan-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1(CC)CC(NC2=N[C@@H](C(C)C)CS2)CCO1
InChIInChI=1S/C15H28N2OS/c1-5-15(6-2)9-12(7-8-18-15)16-14-17-13(10-19-14)11(3)4/h11-13H,5-10H2,1-4H3,(H,16,17)/t12?,13-/m1/s1
InChIKeyFNBGGMSTXYBSOJ-ZGTCLIOFSA-N
XLogP3.44
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-(2,2-diethyloxan-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of (4S)-N-(2,2-diethyloxan-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 83028201) is (4S)-N-(2,2-diethyloxan-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for (4S)-N-(2,2-diethyloxan-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for (4S)-N-(2,2-diethyloxan-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is CCC1(CC)CC(NC2=N[C@@H](C(C)C)CS2)CCO1.
What is the InChIKey of (4S)-N-(2,2-diethyloxan-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is FNBGGMSTXYBSOJ-ZGTCLIOFSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-5-15(6-2)9-12(7-8-18-15)16-14-17-13(10-19-14)11(3)4/h11-13H,5-10H2,1-4H3,(H,16,17)/t12?,13-/m1/s1.
What are the key properties of (4S)-N-(2,2-diethyloxan-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
(4S)-N-(2,2-diethyloxan-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 284.47 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(2,2-diethyloxan-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 83028201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).