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

C13H24N2OS — CID 83028506

IUPAC(4S)-N-(2,2-dimethyloxan-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)[C@H]1CSC(NC2CCOC(C)(C)C2)=N1
InChIInChI=1S/C13H24N2OS/c1-9(2)11-8-17-12(15-11)14-10-5-6-16-13(3,4)7-10/h9-11H,5-8H2,1-4H3,(H,14,15)/t10?,11-/m1/s1
InChIKeyZCLYORGBFXTOKP-RRKGBCIJSA-N
MW256.41 g/mol
LogP2.66
Rot. Bonds2

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

(4S)-N-(2,2-dimethyloxan-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 83028506) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is (4S)-N-(2,2-dimethyloxan-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name(4S)-N-(2,2-dimethyloxan-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID83028506
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name(4S)-N-(2,2-dimethyloxan-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)[C@H]1CSC(NC2CCOC(C)(C)C2)=N1
InChIInChI=1S/C13H24N2OS/c1-9(2)11-8-17-12(15-11)14-10-5-6-16-13(3,4)7-10/h9-11H,5-8H2,1-4H3,(H,14,15)/t10?,11-/m1/s1
InChIKeyZCLYORGBFXTOKP-RRKGBCIJSA-N
XLogP2.66
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.66
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-dimethyloxan-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of (4S)-N-(2,2-dimethyloxan-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 83028506) is (4S)-N-(2,2-dimethyloxan-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for (4S)-N-(2,2-dimethyloxan-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for (4S)-N-(2,2-dimethyloxan-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is CC(C)[C@H]1CSC(NC2CCOC(C)(C)C2)=N1.
What is the InChIKey of (4S)-N-(2,2-dimethyloxan-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is ZCLYORGBFXTOKP-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-9(2)11-8-17-12(15-11)14-10-5-6-16-13(3,4)7-10/h9-11H,5-8H2,1-4H3,(H,14,15)/t10?,11-/m1/s1.
What are the key properties of (4S)-N-(2,2-dimethyloxan-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
(4S)-N-(2,2-dimethyloxan-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 256.41 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(2,2-dimethyloxan-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 83028506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).