N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,5-difluorobenzamide

C12H10F2N2OS — CID 17399738

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2,5-difluorobenzamide
SMILESCc1nc(NC(=O)c2cc(F)ccc2F)sc1C
InChIInChI=1S/C12H10F2N2OS/c1-6-7(2)18-12(15-6)16-11(17)9-5-8(13)3-4-10(9)14/h3-5H,1-2H3,(H,15,16,17)
InChIKeyKBBKEFBSIHBLLL-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.29
Rot. Bonds2

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,5-difluorobenzamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,5-difluorobenzamide (PubChem CID 17399738) has the molecular formula C12H10F2N2OS and a molecular weight of 268.29 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2,5-difluorobenzamide
PubChem CID17399738
Molecular FormulaC12H10F2N2OS
Molecular Weight268.29 g/mol
Exact Mass268.05
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2,5-difluorobenzamide
SMILESCc1nc(NC(=O)c2cc(F)ccc2F)sc1C
InChIInChI=1S/C12H10F2N2OS/c1-6-7(2)18-12(15-6)16-11(17)9-5-8(13)3-4-10(9)14/h3-5H,1-2H3,(H,15,16,17)
InChIKeyKBBKEFBSIHBLLL-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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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,5-difluorobenzamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,5-difluorobenzamide (CID 17399738) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,5-difluorobenzamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,5-difluorobenzamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,5-difluorobenzamide is Cc1nc(NC(=O)c2cc(F)ccc2F)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,5-difluorobenzamide?
The InChIKey is KBBKEFBSIHBLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2OS/c1-6-7(2)18-12(15-6)16-11(17)9-5-8(13)3-4-10(9)14/h3-5H,1-2H3,(H,15,16,17).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,5-difluorobenzamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,5-difluorobenzamide 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-(4,5-dimethyl-1,3-thiazol-2-yl)-2,5-difluorobenzamide is sourced from PubChem (CID 17399738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).