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

C17H18F3N3OS — CID 138752624

IUPAC2-methyl-6-[2-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-4-yl]-1,3-diazinan-4-one
SMILESCC1NC(=O)CC(c2csc(C(C)c3ccc(C(F)(F)F)cc3)n2)N1
InChIInChI=1S/C17H18F3N3OS/c1-9(11-3-5-12(6-4-11)17(18,19)20)16-23-14(8-25-16)13-7-15(24)22-10(2)21-13/h3-6,8-10,13,21H,7H2,1-2H3,(H,22,24)
InChIKeyZAMFRQQWMFETRY-UHFFFAOYSA-N
MW369.41 g/mol
LogP3.81
Rot. Bonds3

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

2-methyl-6-[2-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-4-yl]-1,3-diazinan-4-one (PubChem CID 138752624) has the molecular formula C17H18F3N3OS and a molecular weight of 369.41 g/mol. Its IUPAC name is 2-methyl-6-[2-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-4-yl]-1,3-diazinan-4-one.

Molecular Properties

Compound Name2-methyl-6-[2-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-4-yl]-1,3-diazinan-4-one
PubChem CID138752624
Molecular FormulaC17H18F3N3OS
Molecular Weight369.41 g/mol
Exact Mass369.11
IUPAC Name2-methyl-6-[2-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-4-yl]-1,3-diazinan-4-one
SMILESCC1NC(=O)CC(c2csc(C(C)c3ccc(C(F)(F)F)cc3)n2)N1
InChIInChI=1S/C17H18F3N3OS/c1-9(11-3-5-12(6-4-11)17(18,19)20)16-23-14(8-25-16)13-7-15(24)22-10(2)21-13/h3-6,8-10,13,21H,7H2,1-2H3,(H,22,24)
InChIKeyZAMFRQQWMFETRY-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

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

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Related Compounds

(S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-acetamidothiazol-4-yl)-4-(4-phenylpiperidin-1-yl)butanamide
CID 16216716
(S)-1-(4-(1-(3,5-bis(trifluoromethyl)benzylamino)-1-oxo-4-(4-phenylpiperidin-1-yl)butan-2-yl)thiazol-2-yl)-3-methylurea
CID 44425292
3-(4-(1-(3,5-Bis(trifluoromethyl)benzylamino)-1-oxo-4-(4-phenylpiperidin-1-yl)butan-2-yl)thiazol-2-yl)-1,1-dimethylurea
CID 9986630
1-(4-(1-(3,5-Bis(trifluoromethyl)benzylamino)-1-oxo-4-(4-phenylpiperidin-1-yl)butan-2-yl)thiazol-2-yl)-3-methylurea
CID 25110788
3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-benzyl)-6-methyl-5-(2-methyl-thiazol-4-yl)-1H-pyrimidine-2,4-dione
CID 44394723
N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-aminothiazol-4-yl)-4-(4-phenylpiperidin-1-yl)butanamide
CID 44425241
N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-acetamidothiazol-4-yl)-4-(4-phenylpiperidin-1-yl)butanamide
CID 44425249
N-(3,5-bis-trifluoromethyl-benzyl)-2-(2-guanidino-thiazol-4-yl)-4-(4-phenyl-piperidin-1-yl)-butyramide
CID 44425281
US10710967, Example 191
CID 155883409
US10710967, Example 237
CID 155883453
2-(3-methylphenyl)-N-(2-{2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}ethyl)acetamide
CID 7287530
N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24790746

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-4-yl]-1,3-diazinan-4-one?
The IUPAC name of 2-methyl-6-[2-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-4-yl]-1,3-diazinan-4-one (CID 138752624) is 2-methyl-6-[2-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-4-yl]-1,3-diazinan-4-one.
What is the SMILES notation for 2-methyl-6-[2-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-4-yl]-1,3-diazinan-4-one?
The canonical SMILES for 2-methyl-6-[2-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-4-yl]-1,3-diazinan-4-one is CC1NC(=O)CC(c2csc(C(C)c3ccc(C(F)(F)F)cc3)n2)N1.
What is the InChIKey of 2-methyl-6-[2-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-4-yl]-1,3-diazinan-4-one?
The InChIKey is ZAMFRQQWMFETRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3OS/c1-9(11-3-5-12(6-4-11)17(18,19)20)16-23-14(8-25-16)13-7-15(24)22-10(2)21-13/h3-6,8-10,13,21H,7H2,1-2H3,(H,22,24).
What are the key properties of 2-methyl-6-[2-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-4-yl]-1,3-diazinan-4-one?
2-methyl-6-[2-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-4-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-[2-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-4-yl]-1,3-diazinan-4-one is sourced from PubChem (CID 138752624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).