N-(difluoromethyl)-1,3-thiazole-5-carboxamide

C5H4F2N2OS — CID 67240228

IUPACN-(difluoromethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NC(F)F)c1cncs1
InChIInChI=1S/C5H4F2N2OS/c6-5(7)9-4(10)3-1-8-2-11-3/h1-2,5H,(H,9,10)
InChIKeySOVABSPIMVGCIX-UHFFFAOYSA-N
MW178.16 g/mol
LogP1.10
Rot. Bonds2

About N-(difluoromethyl)-1,3-thiazole-5-carboxamide

N-(difluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 67240228) has the molecular formula C5H4F2N2OS and a molecular weight of 178.16 g/mol. Its IUPAC name is N-(difluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(difluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID67240228
Molecular FormulaC5H4F2N2OS
Molecular Weight178.16 g/mol
Exact Mass178.00
IUPAC NameN-(difluoromethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NC(F)F)c1cncs1
InChIInChI=1S/C5H4F2N2OS/c6-5(7)9-4(10)3-1-8-2-11-3/h1-2,5H,(H,9,10)
InChIKeySOVABSPIMVGCIX-UHFFFAOYSA-N
XLogP1.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(difluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(difluoromethyl)-1,3-thiazole-5-carboxamide (CID 67240228) is N-(difluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(difluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(difluoromethyl)-1,3-thiazole-5-carboxamide is O=C(NC(F)F)c1cncs1.
What is the InChIKey of N-(difluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is SOVABSPIMVGCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F2N2OS/c6-5(7)9-4(10)3-1-8-2-11-3/h1-2,5H,(H,9,10).
What are the key properties of N-(difluoromethyl)-1,3-thiazole-5-carboxamide?
N-(difluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 178.16 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 67240228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).