1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-one

C15H13F3N4OS2 — CID 161009597

IUPAC1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-one
SMILESCc1nc(C)c(-c2csc(CC(=O)Cn3cc(C(F)(F)F)cn3)n2)s1
InChIInChI=1S/C15H13F3N4OS2/c1-8-14(25-9(2)20-8)12-7-24-13(21-12)3-11(23)6-22-5-10(4-19-22)15(16,17)18/h4-5,7H,3,6H2,1-2H3
InChIKeyTWYOCPSYNPHTSA-UHFFFAOYSA-N
MW386.42 g/mol
LogP3.91
Rot. Bonds5

About 1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-one

1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-one (PubChem CID 161009597) has the molecular formula C15H13F3N4OS2 and a molecular weight of 386.42 g/mol. Its IUPAC name is 1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-one
PubChem CID161009597
Molecular FormulaC15H13F3N4OS2
Molecular Weight386.42 g/mol
Exact Mass386.05
IUPAC Name1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-one
SMILESCc1nc(C)c(-c2csc(CC(=O)Cn3cc(C(F)(F)F)cn3)n2)s1
InChIInChI=1S/C15H13F3N4OS2/c1-8-14(25-9(2)20-8)12-7-24-13(21-12)3-11(23)6-22-5-10(4-19-22)15(16,17)18/h4-5,7H,3,6H2,1-2H3
InChIKeyTWYOCPSYNPHTSA-UHFFFAOYSA-N
XLogP3.91
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-one?
The IUPAC name of 1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-one (CID 161009597) is 1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-one.
What is the SMILES notation for 1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-one?
The canonical SMILES for 1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-one is Cc1nc(C)c(-c2csc(CC(=O)Cn3cc(C(F)(F)F)cn3)n2)s1.
What is the InChIKey of 1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-one?
The InChIKey is TWYOCPSYNPHTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4OS2/c1-8-14(25-9(2)20-8)12-7-24-13(21-12)3-11(23)6-22-5-10(4-19-22)15(16,17)18/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-one?
1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-one has a molecular weight of 386.42 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-one is sourced from PubChem (CID 161009597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).