N-(2,6-difluorophenyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide

C15H9F5N4OS — CID 87147695

IUPACN-(2,6-difluorophenyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide
SMILESCn1nc(C(F)(F)F)cc1-c1cnc(N(C=O)c2c(F)cccc2F)s1
InChIInChI=1S/C15H9F5N4OS/c1-23-10(5-12(22-23)15(18,19)20)11-6-21-14(26-11)24(7-25)13-8(16)3-2-4-9(13)17/h2-7H,1H3
InChIKeySHUSMLONVGOSDD-UHFFFAOYSA-N
MW388.32 g/mol
LogP4.14
Rot. Bonds4

About N-(2,6-difluorophenyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide

N-(2,6-difluorophenyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide (PubChem CID 87147695) has the molecular formula C15H9F5N4OS and a molecular weight of 388.32 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide
PubChem CID87147695
Molecular FormulaC15H9F5N4OS
Molecular Weight388.32 g/mol
Exact Mass388.04
IUPAC NameN-(2,6-difluorophenyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide
SMILESCn1nc(C(F)(F)F)cc1-c1cnc(N(C=O)c2c(F)cccc2F)s1
InChIInChI=1S/C15H9F5N4OS/c1-23-10(5-12(22-23)15(18,19)20)11-6-21-14(26-11)24(7-25)13-8(16)3-2-4-9(13)17/h2-7H,1H3
InChIKeySHUSMLONVGOSDD-UHFFFAOYSA-N
XLogP4.14
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.32
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide?
The IUPAC name of N-(2,6-difluorophenyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide (CID 87147695) is N-(2,6-difluorophenyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide?
The canonical SMILES for N-(2,6-difluorophenyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide is Cn1nc(C(F)(F)F)cc1-c1cnc(N(C=O)c2c(F)cccc2F)s1.
What is the InChIKey of N-(2,6-difluorophenyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide?
The InChIKey is SHUSMLONVGOSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F5N4OS/c1-23-10(5-12(22-23)15(18,19)20)11-6-21-14(26-11)24(7-25)13-8(16)3-2-4-9(13)17/h2-7H,1H3.
What are the key properties of N-(2,6-difluorophenyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide?
N-(2,6-difluorophenyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide has a molecular weight of 388.32 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide is sourced from PubChem (CID 87147695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).