N-[2-(difluoromethyl)-1,3-thiazol-4-yl]formamide

C5H4F2N2OS — CID 175314737

IUPACN-[2-(difluoromethyl)-1,3-thiazol-4-yl]formamide
SMILESO=CNc1csc(C(F)F)n1
InChIInChI=1S/C5H4F2N2OS/c6-4(7)5-9-3(1-11-5)8-2-10/h1-2,4H,(H,8,10)
InChIKeyCFTATZVOBLSAAN-UHFFFAOYSA-N
MW178.16 g/mol
LogP1.65
Rot. Bonds3

About N-[2-(difluoromethyl)-1,3-thiazol-4-yl]formamide

N-[2-(difluoromethyl)-1,3-thiazol-4-yl]formamide (PubChem CID 175314737) has the molecular formula C5H4F2N2OS and a molecular weight of 178.16 g/mol. Its IUPAC name is N-[2-(difluoromethyl)-1,3-thiazol-4-yl]formamide.

Molecular Properties

Compound NameN-[2-(difluoromethyl)-1,3-thiazol-4-yl]formamide
PubChem CID175314737
Molecular FormulaC5H4F2N2OS
Molecular Weight178.16 g/mol
Exact Mass178.00
IUPAC NameN-[2-(difluoromethyl)-1,3-thiazol-4-yl]formamide
SMILESO=CNc1csc(C(F)F)n1
InChIInChI=1S/C5H4F2N2OS/c6-4(7)5-9-3(1-11-5)8-2-10/h1-2,4H,(H,8,10)
InChIKeyCFTATZVOBLSAAN-UHFFFAOYSA-N
XLogP1.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(difluoromethyl)-1,3-thiazol-4-yl]formamide?
The IUPAC name of N-[2-(difluoromethyl)-1,3-thiazol-4-yl]formamide (CID 175314737) is N-[2-(difluoromethyl)-1,3-thiazol-4-yl]formamide.
What is the SMILES notation for N-[2-(difluoromethyl)-1,3-thiazol-4-yl]formamide?
The canonical SMILES for N-[2-(difluoromethyl)-1,3-thiazol-4-yl]formamide is O=CNc1csc(C(F)F)n1.
What is the InChIKey of N-[2-(difluoromethyl)-1,3-thiazol-4-yl]formamide?
The InChIKey is CFTATZVOBLSAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F2N2OS/c6-4(7)5-9-3(1-11-5)8-2-10/h1-2,4H,(H,8,10).
What are the key properties of N-[2-(difluoromethyl)-1,3-thiazol-4-yl]formamide?
N-[2-(difluoromethyl)-1,3-thiazol-4-yl]formamide has a molecular weight of 178.16 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethyl)-1,3-thiazol-4-yl]formamide is sourced from PubChem (CID 175314737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).