N-(5,5-difluorocyclohexa-1,3-dien-1-yl)-1,3-thiazole-5-carboxamide

C10H8F2N2OS — CID 142697276

IUPACN-(5,5-difluorocyclohexa-1,3-dien-1-yl)-1,3-thiazole-5-carboxamide
SMILESO=C(NC1=CC=CC(F)(F)C1)c1cncs1
InChIInChI=1S/C10H8F2N2OS/c11-10(12)3-1-2-7(4-10)14-9(15)8-5-13-6-16-8/h1-3,5-6H,4H2,(H,14,15)
InChIKeyGZHNYOXUDRHGAB-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.35
Rot. Bonds2

About N-(5,5-difluorocyclohexa-1,3-dien-1-yl)-1,3-thiazole-5-carboxamide

N-(5,5-difluorocyclohexa-1,3-dien-1-yl)-1,3-thiazole-5-carboxamide (PubChem CID 142697276) has the molecular formula C10H8F2N2OS and a molecular weight of 242.25 g/mol. Its IUPAC name is N-(5,5-difluorocyclohexa-1,3-dien-1-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5,5-difluorocyclohexa-1,3-dien-1-yl)-1,3-thiazole-5-carboxamide
PubChem CID142697276
Molecular FormulaC10H8F2N2OS
Molecular Weight242.25 g/mol
Exact Mass242.03
IUPAC NameN-(5,5-difluorocyclohexa-1,3-dien-1-yl)-1,3-thiazole-5-carboxamide
SMILESO=C(NC1=CC=CC(F)(F)C1)c1cncs1
InChIInChI=1S/C10H8F2N2OS/c11-10(12)3-1-2-7(4-10)14-9(15)8-5-13-6-16-8/h1-3,5-6H,4H2,(H,14,15)
InChIKeyGZHNYOXUDRHGAB-UHFFFAOYSA-N
XLogP2.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2E,4Z)-5-chloro-7-methyl-4-(trifluoromethyl)octa-2,4,6-trien-2-yl]-2-(3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 129091383
N-[(2E,4Z)-4-(1,1-difluoroethyl)-5-hydroxyhepta-2,4,6-trien-2-yl]-2-ethyl-1,3-thiazole-5-carboxamide
CID 132032504
2-(aminomethyl)-N-[(3E)-5-methyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-1,3-thiazole-5-carboxamide
CID 144024743
2-(1-aminoethyl)-N-[(3E)-5-methyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-1,3-thiazole-5-carboxamide
CID 145547312
2-(1-aminoethyl)-N-[(3E)-5-fluoro-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-1,3-thiazole-5-carboxamide
CID 145547617
2-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)pyridin-3-yl]-1,3-thiazole-5-carboxamide
CID 146309480
2-chloro-N-(1-ethyl-5-fluoro-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 146323383
N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxopyridin-3-yl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 146323442
2-cyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide
CID 146323457
2-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide
CID 146323459
2-chloro-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide
CID 146323473
2-(difluoromethyl)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide
CID 146323474

Frequently Asked Questions

What is the IUPAC name of N-(5,5-difluorocyclohexa-1,3-dien-1-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(5,5-difluorocyclohexa-1,3-dien-1-yl)-1,3-thiazole-5-carboxamide (CID 142697276) is N-(5,5-difluorocyclohexa-1,3-dien-1-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(5,5-difluorocyclohexa-1,3-dien-1-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(5,5-difluorocyclohexa-1,3-dien-1-yl)-1,3-thiazole-5-carboxamide is O=C(NC1=CC=CC(F)(F)C1)c1cncs1.
What is the InChIKey of N-(5,5-difluorocyclohexa-1,3-dien-1-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is GZHNYOXUDRHGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2OS/c11-10(12)3-1-2-7(4-10)14-9(15)8-5-13-6-16-8/h1-3,5-6H,4H2,(H,14,15).
What are the key properties of N-(5,5-difluorocyclohexa-1,3-dien-1-yl)-1,3-thiazole-5-carboxamide?
N-(5,5-difluorocyclohexa-1,3-dien-1-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 242.25 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-difluorocyclohexa-1,3-dien-1-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 142697276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).