N-(2,4-difluorophenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide

C12H10F2N2OS — CID 110465588

IUPACN-(2,4-difluorophenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(F)cc2F)c(C)s1
InChIInChI=1S/C12H10F2N2OS/c1-6-11(15-7(2)18-6)12(17)16-10-4-3-8(13)5-9(10)14/h3-5H,1-2H3,(H,16,17)
InChIKeyHXGHJOJHMHWBEE-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.29
Rot. Bonds2

About N-(2,4-difluorophenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide

N-(2,4-difluorophenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide (PubChem CID 110465588) has the molecular formula C12H10F2N2OS and a molecular weight of 268.29 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
PubChem CID110465588
Molecular FormulaC12H10F2N2OS
Molecular Weight268.29 g/mol
Exact Mass268.05
IUPAC NameN-(2,4-difluorophenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(F)cc2F)c(C)s1
InChIInChI=1S/C12H10F2N2OS/c1-6-11(15-7(2)18-6)12(17)16-10-4-3-8(13)5-9(10)14/h3-5H,1-2H3,(H,16,17)
InChIKeyHXGHJOJHMHWBEE-UHFFFAOYSA-N
XLogP3.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-difluorophenyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide
CID 110696408
N-(2,4-dimethylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465560
N-(2,6-difluorophenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465586
2,5-dimethyl-N-(2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 110465519
N-(2,4-difluorophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 17026519
N-(2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685919
N-(2,4-difluorophenyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 4529483
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
N-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465627
N-(2,4-difluorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 26360076
N-(2,4-difluorophenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 9209398
2,6-dichloro-N-(2,4-difluorophenyl)pyridine-4-carboxamide
CID 26722050

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide (CID 110465588) is N-(2,4-difluorophenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2ccc(F)cc2F)c(C)s1.
What is the InChIKey of N-(2,4-difluorophenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide?
The InChIKey is HXGHJOJHMHWBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2OS/c1-6-11(15-7(2)18-6)12(17)16-10-4-3-8(13)5-9(10)14/h3-5H,1-2H3,(H,16,17).
What are the key properties of N-(2,4-difluorophenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide?
N-(2,4-difluorophenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide has a molecular weight of 268.29 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110465588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).