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

C16H22N2OS — CID 83029113

IUPACN-(2,2-dimethyloxan-4-yl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1(C)CC(NC2=NCC(c3ccccc3)S2)CCO1
InChIInChI=1S/C16H22N2OS/c1-16(2)10-13(8-9-19-16)18-15-17-11-14(20-15)12-6-4-3-5-7-12/h3-7,13-14H,8-11H2,1-2H3,(H,17,18)
InChIKeyAPGKKAAJNQWJNX-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.38
Rot. Bonds2

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

N-(2,2-dimethyloxan-4-yl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 83029113) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID83029113
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-(2,2-dimethyloxan-4-yl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1(C)CC(NC2=NCC(c3ccccc3)S2)CCO1
InChIInChI=1S/C16H22N2OS/c1-16(2)10-13(8-9-19-16)18-15-17-11-14(20-15)12-6-4-3-5-7-12/h3-7,13-14H,8-11H2,1-2H3,(H,17,18)
InChIKeyAPGKKAAJNQWJNX-UHFFFAOYSA-N
XLogP3.38
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine (CID 83029113) is N-(2,2-dimethyloxan-4-yl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine is CC1(C)CC(NC2=NCC(c3ccccc3)S2)CCO1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is APGKKAAJNQWJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-16(2)10-13(8-9-19-16)18-15-17-11-14(20-15)12-6-4-3-5-7-12/h3-7,13-14H,8-11H2,1-2H3,(H,17,18).
What are the key properties of N-(2,2-dimethyloxan-4-yl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(2,2-dimethyloxan-4-yl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 290.43 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 83029113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).