2-methyl-6-[5-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-2-yl]-1,3-diazinan-4-one

C17H18F3N3OS — CID 138403691

IUPAC2-methyl-6-[5-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-2-yl]-1,3-diazinan-4-one
SMILESCC1NC(=O)CC(c2ncc(C(C)c3ccc(C(F)(F)F)cc3)s2)N1
InChIInChI=1S/C17H18F3N3OS/c1-9(11-3-5-12(6-4-11)17(18,19)20)14-8-21-16(25-14)13-7-15(24)23-10(2)22-13/h3-6,8-10,13,22H,7H2,1-2H3,(H,23,24)
InChIKeyRSENJFJOOHDWER-UHFFFAOYSA-N
MW369.41 g/mol
LogP3.81
Rot. Bonds3

About 2-methyl-6-[5-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-2-yl]-1,3-diazinan-4-one

2-methyl-6-[5-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-2-yl]-1,3-diazinan-4-one (PubChem CID 138403691) has the molecular formula C17H18F3N3OS and a molecular weight of 369.41 g/mol. Its IUPAC name is 2-methyl-6-[5-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-2-yl]-1,3-diazinan-4-one.

Molecular Properties

Compound Name2-methyl-6-[5-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-2-yl]-1,3-diazinan-4-one
PubChem CID138403691
Molecular FormulaC17H18F3N3OS
Molecular Weight369.41 g/mol
Exact Mass369.11
IUPAC Name2-methyl-6-[5-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-2-yl]-1,3-diazinan-4-one
SMILESCC1NC(=O)CC(c2ncc(C(C)c3ccc(C(F)(F)F)cc3)s2)N1
InChIInChI=1S/C17H18F3N3OS/c1-9(11-3-5-12(6-4-11)17(18,19)20)14-8-21-16(25-14)13-7-15(24)23-10(2)22-13/h3-6,8-10,13,22H,7H2,1-2H3,(H,23,24)
InChIKeyRSENJFJOOHDWER-UHFFFAOYSA-N
XLogP3.81
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[5-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-2-yl]-1,3-diazinan-4-one?
The IUPAC name of 2-methyl-6-[5-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-2-yl]-1,3-diazinan-4-one (CID 138403691) is 2-methyl-6-[5-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-2-yl]-1,3-diazinan-4-one.
What is the SMILES notation for 2-methyl-6-[5-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-2-yl]-1,3-diazinan-4-one?
The canonical SMILES for 2-methyl-6-[5-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-2-yl]-1,3-diazinan-4-one is CC1NC(=O)CC(c2ncc(C(C)c3ccc(C(F)(F)F)cc3)s2)N1.
What is the InChIKey of 2-methyl-6-[5-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-2-yl]-1,3-diazinan-4-one?
The InChIKey is RSENJFJOOHDWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3OS/c1-9(11-3-5-12(6-4-11)17(18,19)20)14-8-21-16(25-14)13-7-15(24)23-10(2)22-13/h3-6,8-10,13,22H,7H2,1-2H3,(H,23,24).
What are the key properties of 2-methyl-6-[5-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-2-yl]-1,3-diazinan-4-one?
2-methyl-6-[5-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-2-yl]-1,3-diazinan-4-one has a molecular weight of 369.41 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[5-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-2-yl]-1,3-diazinan-4-one is sourced from PubChem (CID 138403691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).