4-(3-chlorothiophen-2-yl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine

C10H10ClF3N2OS — CID 123235345

IUPAC4-(3-chlorothiophen-2-yl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine
SMILESCC1(c2sccc2Cl)CC(C(F)(F)F)OC(N)=N1
InChIInChI=1S/C10H10ClF3N2OS/c1-9(7-5(11)2-3-18-7)4-6(10(12,13)14)17-8(15)16-9/h2-3,6H,4H2,1H3,(H2,15,16)
InChIKeyBYNGBTNICSACNK-UHFFFAOYSA-N
MW298.72 g/mol
LogP3.28
Rot. Bonds1

About 4-(3-chlorothiophen-2-yl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine

4-(3-chlorothiophen-2-yl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine (PubChem CID 123235345) has the molecular formula C10H10ClF3N2OS and a molecular weight of 298.72 g/mol. Its IUPAC name is 4-(3-chlorothiophen-2-yl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine.

Molecular Properties

Compound Name4-(3-chlorothiophen-2-yl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine
PubChem CID123235345
Molecular FormulaC10H10ClF3N2OS
Molecular Weight298.72 g/mol
Exact Mass298.02
IUPAC Name4-(3-chlorothiophen-2-yl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine
SMILESCC1(c2sccc2Cl)CC(C(F)(F)F)OC(N)=N1
InChIInChI=1S/C10H10ClF3N2OS/c1-9(7-5(11)2-3-18-7)4-6(10(12,13)14)17-8(15)16-9/h2-3,6H,4H2,1H3,(H2,15,16)
InChIKeyBYNGBTNICSACNK-UHFFFAOYSA-N
XLogP3.28
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.72
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorothiophen-2-yl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine?
The IUPAC name of 4-(3-chlorothiophen-2-yl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine (CID 123235345) is 4-(3-chlorothiophen-2-yl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine.
What is the SMILES notation for 4-(3-chlorothiophen-2-yl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine?
The canonical SMILES for 4-(3-chlorothiophen-2-yl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine is CC1(c2sccc2Cl)CC(C(F)(F)F)OC(N)=N1.
What is the InChIKey of 4-(3-chlorothiophen-2-yl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine?
The InChIKey is BYNGBTNICSACNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2OS/c1-9(7-5(11)2-3-18-7)4-6(10(12,13)14)17-8(15)16-9/h2-3,6H,4H2,1H3,(H2,15,16).
What are the key properties of 4-(3-chlorothiophen-2-yl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine?
4-(3-chlorothiophen-2-yl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine has a molecular weight of 298.72 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorothiophen-2-yl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine is sourced from PubChem (CID 123235345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).