N-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide

C6H6F2N2OS — CID 68738967

IUPACN-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)NC(F)F)s1
InChIInChI=1S/C6H6F2N2OS/c1-3-9-2-4(12-3)5(11)10-6(7)8/h2,6H,1H3,(H,10,11)
InChIKeyDPSAOUUUHWIGTD-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.40
Rot. Bonds2

About N-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide

N-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 68738967) has the molecular formula C6H6F2N2OS and a molecular weight of 192.19 g/mol. Its IUPAC name is N-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID68738967
Molecular FormulaC6H6F2N2OS
Molecular Weight192.19 g/mol
Exact Mass192.02
IUPAC NameN-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)NC(F)F)s1
InChIInChI=1S/C6H6F2N2OS/c1-3-9-2-4(12-3)5(11)10-6(7)8/h2,6H,1H3,(H,10,11)
InChIKeyDPSAOUUUHWIGTD-UHFFFAOYSA-N
XLogP1.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.40
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)-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide (CID 68738967) is N-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)NC(F)F)s1.
What is the InChIKey of N-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is DPSAOUUUHWIGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2OS/c1-3-9-2-4(12-3)5(11)10-6(7)8/h2,6H,1H3,(H,10,11).
What are the key properties of N-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide?
N-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 192.19 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 68738967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).