N-(4-acetyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide

C14H12F2N2O4S — CID 26469303

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2nc(C(C)=O)cs2)ccc1OC(F)F
InChIInChI=1S/C14H12F2N2O4S/c1-7(19)9-6-23-14(17-9)18-12(20)8-3-4-10(22-13(15)16)11(5-8)21-2/h3-6,13H,1-2H3,(H,17,18,20)
InChIKeyROWDONZHMCWDKM-UHFFFAOYSA-N
MW342.32 g/mol
LogP3.21
Rot. Bonds6

About N-(4-acetyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide

N-(4-acetyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide (PubChem CID 26469303) has the molecular formula C14H12F2N2O4S and a molecular weight of 342.32 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
PubChem CID26469303
Molecular FormulaC14H12F2N2O4S
Molecular Weight342.32 g/mol
Exact Mass342.05
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2nc(C(C)=O)cs2)ccc1OC(F)F
InChIInChI=1S/C14H12F2N2O4S/c1-7(19)9-6-23-14(17-9)18-12(20)8-3-4-10(22-13(15)16)11(5-8)21-2/h3-6,13H,1-2H3,(H,17,18,20)
InChIKeyROWDONZHMCWDKM-UHFFFAOYSA-N
XLogP3.21
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(difluoromethoxy)-3-methoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78863411
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 42993173
4-(difluoromethoxy)-3-methoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 2402305
3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide
CID 46674292
N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 2676970
3-(difluoromethoxy)-4-methoxy-N-[4-(1-methylpyrrol-2-yl)-1,3-thiazol-2-yl]benzamide
CID 47045225
4-(difluoromethoxy)-3-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 31892120
N-(4-acetyl-1,3-thiazol-2-yl)-3-ethoxy-4-propoxybenzamide
CID 51248167
4-(difluoromethoxy)-3-methoxy-N-pyridin-4-ylbenzamide
CID 3461577
N-(4-acetyl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide
CID 60700131
4-(difluoromethoxy)-3-methoxy-N-phenylbenzamide
CID 2171846
N-(4-acetyl-1,3-thiazol-2-yl)-3-hydroxy-4-methylbenzamide
CID 64544456

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide (CID 26469303) is N-(4-acetyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide is COc1cc(C(=O)Nc2nc(C(C)=O)cs2)ccc1OC(F)F.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide?
The InChIKey is ROWDONZHMCWDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O4S/c1-7(19)9-6-23-14(17-9)18-12(20)8-3-4-10(22-13(15)16)11(5-8)21-2/h3-6,13H,1-2H3,(H,17,18,20).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide?
N-(4-acetyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide has a molecular weight of 342.32 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide is sourced from PubChem (CID 26469303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).