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

C18H17F3N4O2S — CID 46492572

IUPAC2-(1-methylpyrazol-4-yl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)NCc3ccc(COCC(F)(F)F)cc3)cs2)cn1
InChIInChI=1S/C18H17F3N4O2S/c1-25-8-14(7-23-25)17-24-15(10-28-17)16(26)22-6-12-2-4-13(5-3-12)9-27-11-18(19,20)21/h2-5,7-8,10H,6,9,11H2,1H3,(H,22,26)
InChIKeyMWRHCTHIOOOTAC-UHFFFAOYSA-N
MW410.42 g/mol
LogP3.55
Rot. Bonds7

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

2-(1-methylpyrazol-4-yl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 46492572) has the molecular formula C18H17F3N4O2S and a molecular weight of 410.42 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID46492572
Molecular FormulaC18H17F3N4O2S
Molecular Weight410.42 g/mol
Exact Mass410.10
IUPAC Name2-(1-methylpyrazol-4-yl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)NCc3ccc(COCC(F)(F)F)cc3)cs2)cn1
InChIInChI=1S/C18H17F3N4O2S/c1-25-8-14(7-23-25)17-24-15(10-28-17)16(26)22-6-12-2-4-13(5-3-12)9-27-11-18(19,20)21/h2-5,7-8,10H,6,9,11H2,1H3,(H,22,26)
InChIKeyMWRHCTHIOOOTAC-UHFFFAOYSA-N
XLogP3.55
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1-methylpyrazol-4-yl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55847165
N-(2-hydroxyethyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 78887275
N-[[4-(ethoxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 46598097
N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 86836671
N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 86866208
N-(2-hydroxy-2,3-dimethylbutyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 111484287
2-methylpropan-2-amine;N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrazine-2-carboxamide
CID 171924976
5-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 119234517
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 111441960
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
CID 46422498
2-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 119187518
2-(1-methylpyrazol-4-yl)-N-[(1-propylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 51101862

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide (CID 46492572) is 2-(1-methylpyrazol-4-yl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide is Cn1cc(-c2nc(C(=O)NCc3ccc(COCC(F)(F)F)cc3)cs2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is MWRHCTHIOOOTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2S/c1-25-8-14(7-23-25)17-24-15(10-28-17)16(26)22-6-12-2-4-13(5-3-12)9-27-11-18(19,20)21/h2-5,7-8,10H,6,9,11H2,1H3,(H,22,26).
What are the key properties of 2-(1-methylpyrazol-4-yl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
2-(1-methylpyrazol-4-yl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 410.42 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46492572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).