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

C13H22N2OS — CID 83029259

IUPAC5-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1(C)CC(NC2=NCC(C3CC3)S2)CCO1
InChIInChI=1S/C13H22N2OS/c1-13(2)7-10(5-6-16-13)15-12-14-8-11(17-12)9-3-4-9/h9-11H,3-8H2,1-2H3,(H,14,15)
InChIKeyZWADFVBDDCBHAU-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.41
Rot. Bonds2

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

5-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 83029259) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 5-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID83029259
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name5-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1(C)CC(NC2=NCC(C3CC3)S2)CCO1
InChIInChI=1S/C13H22N2OS/c1-13(2)7-10(5-6-16-13)15-12-14-8-11(17-12)9-3-4-9/h9-11H,3-8H2,1-2H3,(H,14,15)
InChIKeyZWADFVBDDCBHAU-UHFFFAOYSA-N
XLogP2.41
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine (CID 83029259) is 5-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine is CC1(C)CC(NC2=NCC(C3CC3)S2)CCO1.
What is the InChIKey of 5-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is ZWADFVBDDCBHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-13(2)7-10(5-6-16-13)15-12-14-8-11(17-12)9-3-4-9/h9-11H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 5-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine?
5-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 254.40 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 83029259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).