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

C19H14F3N5OS2 — CID 78886721

IUPAC2-(1-methylpyrazol-4-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)Nc3ncc(Cc4ccc(C(F)(F)F)cc4)s3)cs2)cn1
InChIInChI=1S/C19H14F3N5OS2/c1-27-9-12(7-24-27)17-25-15(10-29-17)16(28)26-18-23-8-14(30-18)6-11-2-4-13(5-3-11)19(20,21)22/h2-5,7-10H,6H2,1H3,(H,23,26,28)
InChIKeyJFVXZHXDOAIZHW-UHFFFAOYSA-N
MW449.48 g/mol
LogP4.86
Rot. Bonds5

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

2-(1-methylpyrazol-4-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 78886721) has the molecular formula C19H14F3N5OS2 and a molecular weight of 449.48 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID78886721
Molecular FormulaC19H14F3N5OS2
Molecular Weight449.48 g/mol
Exact Mass449.06
IUPAC Name2-(1-methylpyrazol-4-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)Nc3ncc(Cc4ccc(C(F)(F)F)cc4)s3)cs2)cn1
InChIInChI=1S/C19H14F3N5OS2/c1-27-9-12(7-24-27)17-25-15(10-29-17)16(28)26-18-23-8-14(30-18)6-11-2-4-13(5-3-11)19(20,21)22/h2-5,7-10H,6H2,1H3,(H,23,26,28)
InChIKeyJFVXZHXDOAIZHW-UHFFFAOYSA-N
XLogP4.86
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.48
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide (CID 78886721) is 2-(1-methylpyrazol-4-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide is Cn1cc(-c2nc(C(=O)Nc3ncc(Cc4ccc(C(F)(F)F)cc4)s3)cs2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is JFVXZHXDOAIZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5OS2/c1-27-9-12(7-24-27)17-25-15(10-29-17)16(28)26-18-23-8-14(30-18)6-11-2-4-13(5-3-11)19(20,21)22/h2-5,7-10H,6H2,1H3,(H,23,26,28).
What are the key properties of 2-(1-methylpyrazol-4-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide?
2-(1-methylpyrazol-4-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 449.48 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 78886721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).