2-methyl-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C14H9F6N3O3S — CID 1483659

IUPAC2-methyl-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(F)(F)F)c(C(=O)NC(=O)Nc2ccc(OC(F)(F)F)cc2)s1
InChIInChI=1S/C14H9F6N3O3S/c1-6-21-10(13(15,16)17)9(27-6)11(24)23-12(25)22-7-2-4-8(5-3-7)26-14(18,19)20/h2-5H,1H3,(H2,22,23,24,25)
InChIKeyURILTYHIZOUFCL-UHFFFAOYSA-N
MW413.30 g/mol
LogP4.33
Rot. Bonds3

About 2-methyl-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

2-methyl-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 1483659) has the molecular formula C14H9F6N3O3S and a molecular weight of 413.30 g/mol. Its IUPAC name is 2-methyl-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID1483659
Molecular FormulaC14H9F6N3O3S
Molecular Weight413.30 g/mol
Exact Mass413.03
IUPAC Name2-methyl-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(F)(F)F)c(C(=O)NC(=O)Nc2ccc(OC(F)(F)F)cc2)s1
InChIInChI=1S/C14H9F6N3O3S/c1-6-21-10(13(15,16)17)9(27-6)11(24)23-12(25)22-7-2-4-8(5-3-7)26-14(18,19)20/h2-5H,1H3,(H2,22,23,24,25)
InChIKeyURILTYHIZOUFCL-UHFFFAOYSA-N
XLogP4.33
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.30
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-methyl-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 1483659) is 2-methyl-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is Cc1nc(C(F)(F)F)c(C(=O)NC(=O)Nc2ccc(OC(F)(F)F)cc2)s1.
What is the InChIKey of 2-methyl-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is URILTYHIZOUFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6N3O3S/c1-6-21-10(13(15,16)17)9(27-6)11(24)23-12(25)22-7-2-4-8(5-3-7)26-14(18,19)20/h2-5H,1H3,(H2,22,23,24,25).
What are the key properties of 2-methyl-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
2-methyl-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 413.30 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 1483659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).