N-(1-methylpyrazol-4-yl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

C15H11F3N4O3S2 — CID 155949556

IUPACN-(1-methylpyrazol-4-yl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCn1cc(S(=O)(=O)NC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)cn1
InChIInChI=1S/C15H11F3N4O3S2/c1-22-8-11(6-20-22)27(24,25)21-13(23)12-7-19-14(26-12)9-2-4-10(5-3-9)15(16,17)18/h2-8H,1H3,(H,21,23)
InChIKeyDGOUQESEWRXKMQ-UHFFFAOYSA-N
MW416.41 g/mol
LogP2.68
Rot. Bonds4

About N-(1-methylpyrazol-4-yl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

N-(1-methylpyrazol-4-yl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 155949556) has the molecular formula C15H11F3N4O3S2 and a molecular weight of 416.41 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID155949556
Molecular FormulaC15H11F3N4O3S2
Molecular Weight416.41 g/mol
Exact Mass416.02
IUPAC NameN-(1-methylpyrazol-4-yl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCn1cc(S(=O)(=O)NC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)cn1
InChIInChI=1S/C15H11F3N4O3S2/c1-22-8-11(6-20-22)27(24,25)21-13(23)12-7-19-14(26-12)9-2-4-10(5-3-9)15(16,17)18/h2-8H,1H3,(H,21,23)
InChIKeyDGOUQESEWRXKMQ-UHFFFAOYSA-N
XLogP2.68
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (CID 155949556) is N-(1-methylpyrazol-4-yl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is Cn1cc(S(=O)(=O)NC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is DGOUQESEWRXKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O3S2/c1-22-8-11(6-20-22)27(24,25)21-13(23)12-7-19-14(26-12)9-2-4-10(5-3-9)15(16,17)18/h2-8H,1H3,(H,21,23).
What are the key properties of N-(1-methylpyrazol-4-yl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
N-(1-methylpyrazol-4-yl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 416.41 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 155949556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).