4-[2-(1,1-difluoroethyl)-4-(2H-oxadiazet-4-yl)-1,3-thiazol-5-yl]morpholine

C10H12F2N4O2S — CID 138515070

IUPAC4-[2-(1,1-difluoroethyl)-4-(2H-oxadiazet-4-yl)-1,3-thiazol-5-yl]morpholine
SMILESCC(F)(F)c1nc(-c2n[nH]o2)c(N2CCOCC2)s1
InChIInChI=1S/C10H12F2N4O2S/c1-10(11,12)9-13-6(7-14-15-18-7)8(19-9)16-2-4-17-5-3-16/h15H,2-5H2,1H3
InChIKeyKREBVTWIZOFKHQ-UHFFFAOYSA-N
MW290.30 g/mol
LogP2.07
Rot. Bonds3

About 4-[2-(1,1-difluoroethyl)-4-(2H-oxadiazet-4-yl)-1,3-thiazol-5-yl]morpholine

4-[2-(1,1-difluoroethyl)-4-(2H-oxadiazet-4-yl)-1,3-thiazol-5-yl]morpholine (PubChem CID 138515070) has the molecular formula C10H12F2N4O2S and a molecular weight of 290.30 g/mol. Its IUPAC name is 4-[2-(1,1-difluoroethyl)-4-(2H-oxadiazet-4-yl)-1,3-thiazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[2-(1,1-difluoroethyl)-4-(2H-oxadiazet-4-yl)-1,3-thiazol-5-yl]morpholine
PubChem CID138515070
Molecular FormulaC10H12F2N4O2S
Molecular Weight290.30 g/mol
Exact Mass290.06
IUPAC Name4-[2-(1,1-difluoroethyl)-4-(2H-oxadiazet-4-yl)-1,3-thiazol-5-yl]morpholine
SMILESCC(F)(F)c1nc(-c2n[nH]o2)c(N2CCOCC2)s1
InChIInChI=1S/C10H12F2N4O2S/c1-10(11,12)9-13-6(7-14-15-18-7)8(19-9)16-2-4-17-5-3-16/h15H,2-5H2,1H3
InChIKeyKREBVTWIZOFKHQ-UHFFFAOYSA-N
XLogP2.07
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-Morpholin-4-yl-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
CID 137355678
2-[5-morpholin-4-yl-4-(2H-oxadiazet-4-yl)-1,3-thiazol-2-yl]propan-2-ol
CID 142552864

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,1-difluoroethyl)-4-(2H-oxadiazet-4-yl)-1,3-thiazol-5-yl]morpholine?
The IUPAC name of 4-[2-(1,1-difluoroethyl)-4-(2H-oxadiazet-4-yl)-1,3-thiazol-5-yl]morpholine (CID 138515070) is 4-[2-(1,1-difluoroethyl)-4-(2H-oxadiazet-4-yl)-1,3-thiazol-5-yl]morpholine.
What is the SMILES notation for 4-[2-(1,1-difluoroethyl)-4-(2H-oxadiazet-4-yl)-1,3-thiazol-5-yl]morpholine?
The canonical SMILES for 4-[2-(1,1-difluoroethyl)-4-(2H-oxadiazet-4-yl)-1,3-thiazol-5-yl]morpholine is CC(F)(F)c1nc(-c2n[nH]o2)c(N2CCOCC2)s1.
What is the InChIKey of 4-[2-(1,1-difluoroethyl)-4-(2H-oxadiazet-4-yl)-1,3-thiazol-5-yl]morpholine?
The InChIKey is KREBVTWIZOFKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N4O2S/c1-10(11,12)9-13-6(7-14-15-18-7)8(19-9)16-2-4-17-5-3-16/h15H,2-5H2,1H3.
What are the key properties of 4-[2-(1,1-difluoroethyl)-4-(2H-oxadiazet-4-yl)-1,3-thiazol-5-yl]morpholine?
4-[2-(1,1-difluoroethyl)-4-(2H-oxadiazet-4-yl)-1,3-thiazol-5-yl]morpholine has a molecular weight of 290.30 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,1-difluoroethyl)-4-(2H-oxadiazet-4-yl)-1,3-thiazol-5-yl]morpholine is sourced from PubChem (CID 138515070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).