5-(2-methyl-1,3-thiazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]sulfonylthiophene-3-carboxamide

C19H13F3N4O3S3 — CID 166335489

IUPAC5-(2-methyl-1,3-thiazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]sulfonylthiophene-3-carboxamide
SMILESCc1nc(-c2cc(C(=O)NS(=O)(=O)c3cnn(-c4cccc(C(F)(F)F)c4)c3)cs2)cs1
InChIInChI=1S/C19H13F3N4O3S3/c1-11-24-16(10-30-11)17-5-12(9-31-17)18(27)25-32(28,29)15-7-23-26(8-15)14-4-2-3-13(6-14)19(20,21)22/h2-10H,1H3,(H,25,27)
InChIKeyPWSIWMNDCGJGJM-UHFFFAOYSA-N
MW498.53 g/mol
LogP4.50
Rot. Bonds5

About 5-(2-methyl-1,3-thiazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]sulfonylthiophene-3-carboxamide

5-(2-methyl-1,3-thiazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]sulfonylthiophene-3-carboxamide (PubChem CID 166335489) has the molecular formula C19H13F3N4O3S3 and a molecular weight of 498.53 g/mol. Its IUPAC name is 5-(2-methyl-1,3-thiazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]sulfonylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-(2-methyl-1,3-thiazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]sulfonylthiophene-3-carboxamide
PubChem CID166335489
Molecular FormulaC19H13F3N4O3S3
Molecular Weight498.53 g/mol
Exact Mass498.01
IUPAC Name5-(2-methyl-1,3-thiazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]sulfonylthiophene-3-carboxamide
SMILESCc1nc(-c2cc(C(=O)NS(=O)(=O)c3cnn(-c4cccc(C(F)(F)F)c4)c3)cs2)cs1
InChIInChI=1S/C19H13F3N4O3S3/c1-11-24-16(10-30-11)17-5-12(9-31-17)18(27)25-32(28,29)15-7-23-26(8-15)14-4-2-3-13(6-14)19(20,21)22/h2-10H,1H3,(H,25,27)
InChIKeyPWSIWMNDCGJGJM-UHFFFAOYSA-N
XLogP4.50
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.53
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-1,3-thiazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]sulfonylthiophene-3-carboxamide?
The IUPAC name of 5-(2-methyl-1,3-thiazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]sulfonylthiophene-3-carboxamide (CID 166335489) is 5-(2-methyl-1,3-thiazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]sulfonylthiophene-3-carboxamide.
What is the SMILES notation for 5-(2-methyl-1,3-thiazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]sulfonylthiophene-3-carboxamide?
The canonical SMILES for 5-(2-methyl-1,3-thiazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]sulfonylthiophene-3-carboxamide is Cc1nc(-c2cc(C(=O)NS(=O)(=O)c3cnn(-c4cccc(C(F)(F)F)c4)c3)cs2)cs1.
What is the InChIKey of 5-(2-methyl-1,3-thiazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]sulfonylthiophene-3-carboxamide?
The InChIKey is PWSIWMNDCGJGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O3S3/c1-11-24-16(10-30-11)17-5-12(9-31-17)18(27)25-32(28,29)15-7-23-26(8-15)14-4-2-3-13(6-14)19(20,21)22/h2-10H,1H3,(H,25,27).
What are the key properties of 5-(2-methyl-1,3-thiazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]sulfonylthiophene-3-carboxamide?
5-(2-methyl-1,3-thiazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]sulfonylthiophene-3-carboxamide has a molecular weight of 498.53 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1,3-thiazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]sulfonylthiophene-3-carboxamide is sourced from PubChem (CID 166335489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).