N-[5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophen-2-yl]-N-(2,4,6-trifluorophenyl)formamide

C19H13F3N4OS2 — CID 118340470

IUPACN-[5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophen-2-yl]-N-(2,4,6-trifluorophenyl)formamide
SMILESCCn1nc(-c2nccs2)cc1-c1ccc(N(C=O)c2c(F)cc(F)cc2F)s1
InChIInChI=1S/C19H13F3N4OS2/c1-2-26-15(9-14(24-26)19-23-5-6-28-19)16-3-4-17(29-16)25(10-27)18-12(21)7-11(20)8-13(18)22/h3-10H,2H2,1H3
InChIKeyXVRMFTGLKCPELL-UHFFFAOYSA-N
MW434.47 g/mol
LogP5.47
Rot. Bonds6

About N-[5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophen-2-yl]-N-(2,4,6-trifluorophenyl)formamide

N-[5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophen-2-yl]-N-(2,4,6-trifluorophenyl)formamide (PubChem CID 118340470) has the molecular formula C19H13F3N4OS2 and a molecular weight of 434.47 g/mol. Its IUPAC name is N-[5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophen-2-yl]-N-(2,4,6-trifluorophenyl)formamide.

Molecular Properties

Compound NameN-[5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophen-2-yl]-N-(2,4,6-trifluorophenyl)formamide
PubChem CID118340470
Molecular FormulaC19H13F3N4OS2
Molecular Weight434.47 g/mol
Exact Mass434.05
IUPAC NameN-[5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophen-2-yl]-N-(2,4,6-trifluorophenyl)formamide
SMILESCCn1nc(-c2nccs2)cc1-c1ccc(N(C=O)c2c(F)cc(F)cc2F)s1
InChIInChI=1S/C19H13F3N4OS2/c1-2-26-15(9-14(24-26)19-23-5-6-28-19)16-3-4-17(29-16)25(10-27)18-12(21)7-11(20)8-13(18)22/h3-10H,2H2,1H3
InChIKeyXVRMFTGLKCPELL-UHFFFAOYSA-N
XLogP5.47
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.47
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(2,6-difluorophenyl)methyl]-5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrimidin-2-amine;ethane
CID 145146917
3-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-5-(hydroxymethyl)benzoic acid
CID 167900597
5-fluoro-2-(1,3-thiazol-2-yl)benzaldehyde
CID 134279424
2-(1,5-dimethylpyrazol-3-yl)-1,3-thiazole
CID 139386122
2-(5-bromothiophen-2-yl)-1,3-thiazole
CID 18791073
6,8-difluoro-2-(1,3-thiazol-2-yl)quinoline-4-carboxylic acid
CID 64988724
1-ethyl-3-(1,3-thiazol-2-yl)pyrazole-4-carbaldehyde
CID 63992828
N-(2,4-difluorophenyl)-N-[1-ethyl-5-(2-methylpropylsulfanyl)-3-(trifluoromethyl)pyrazol-4-yl]formamide
CID 54107863
N-acetyl-N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]-2,6-difluorobenzamide
CID 118016503
2-chloro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
CID 56848350
2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;[5-[5-(5-methylthiophen-2-yl)-2-pyridinyl]-3-(1,3-thiazol-2-yl)pyrazol-1-yl]methyl thiocyanate;ruthenium
CID 145155964
2-[3-(1-ethylpyrazol-3-yl)phenyl]-1,3-thiazole
CID 29150984

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophen-2-yl]-N-(2,4,6-trifluorophenyl)formamide?
The IUPAC name of N-[5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophen-2-yl]-N-(2,4,6-trifluorophenyl)formamide (CID 118340470) is N-[5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophen-2-yl]-N-(2,4,6-trifluorophenyl)formamide.
What is the SMILES notation for N-[5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophen-2-yl]-N-(2,4,6-trifluorophenyl)formamide?
The canonical SMILES for N-[5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophen-2-yl]-N-(2,4,6-trifluorophenyl)formamide is CCn1nc(-c2nccs2)cc1-c1ccc(N(C=O)c2c(F)cc(F)cc2F)s1.
What is the InChIKey of N-[5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophen-2-yl]-N-(2,4,6-trifluorophenyl)formamide?
The InChIKey is XVRMFTGLKCPELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4OS2/c1-2-26-15(9-14(24-26)19-23-5-6-28-19)16-3-4-17(29-16)25(10-27)18-12(21)7-11(20)8-13(18)22/h3-10H,2H2,1H3.
What are the key properties of N-[5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophen-2-yl]-N-(2,4,6-trifluorophenyl)formamide?
N-[5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophen-2-yl]-N-(2,4,6-trifluorophenyl)formamide has a molecular weight of 434.47 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-ethyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophen-2-yl]-N-(2,4,6-trifluorophenyl)formamide is sourced from PubChem (CID 118340470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).