3-(difluoromethoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide

C18H14F2N2O2S — CID 2671890

IUPAC3-(difluoromethoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide
SMILESCc1csc(N(C(=O)c2cccc(OC(F)F)c2)c2ccccc2)n1
InChIInChI=1S/C18H14F2N2O2S/c1-12-11-25-18(21-12)22(14-7-3-2-4-8-14)16(23)13-6-5-9-15(10-13)24-17(19)20/h2-11,17H,1H3
InChIKeyPTEFXJKLRJIJCC-UHFFFAOYSA-N
MW360.39 g/mol
LogP5.03
Rot. Bonds5

About 3-(difluoromethoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide

3-(difluoromethoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide (PubChem CID 2671890) has the molecular formula C18H14F2N2O2S and a molecular weight of 360.39 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide
PubChem CID2671890
Molecular FormulaC18H14F2N2O2S
Molecular Weight360.39 g/mol
Exact Mass360.07
IUPAC Name3-(difluoromethoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide
SMILESCc1csc(N(C(=O)c2cccc(OC(F)F)c2)c2ccccc2)n1
InChIInChI=1S/C18H14F2N2O2S/c1-12-11-25-18(21-12)22(14-7-3-2-4-8-14)16(23)13-6-5-9-15(10-13)24-17(19)20/h2-11,17H,1H3
InChIKeyPTEFXJKLRJIJCC-UHFFFAOYSA-N
XLogP5.03
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.39
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-(4-methylthiazol-2-yl)benzamide
CID 2679292
N-(1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 669445
N-(4-Methyl-1,3-thiazol-2-yl)-3-phenoxybenzamide
CID 2092675
2-(4-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 2467547
2-amino-5-(4-fluorophenoxy)-N-(4-methylthiazol-2-yl)benzamide
CID 23067440
N-[4-(2,5-Dimethoxy-phenyl)-thiazol-2-yl]-2-fluoro-benzamide
CID 1160658
3-(difluoromethoxy)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 2552802
2-Fluoro-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-N-(3-methoxy-propyl)-benzamide
CID 3170719
3-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 3528738
2-fluoro-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]benzamide
CID 4626253
2-amino-N-(4-methylthiazol-2-yl)-5-phenoxybenzamide
CID 23067400
N-(3-Dimethylamino-propyl)-4-fluoro-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-benzamide
CID 23724330

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide?
The IUPAC name of 3-(difluoromethoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide (CID 2671890) is 3-(difluoromethoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide is Cc1csc(N(C(=O)c2cccc(OC(F)F)c2)c2ccccc2)n1.
What is the InChIKey of 3-(difluoromethoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide?
The InChIKey is PTEFXJKLRJIJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O2S/c1-12-11-25-18(21-12)22(14-7-3-2-4-8-14)16(23)13-6-5-9-15(10-13)24-17(19)20/h2-11,17H,1H3.
What are the key properties of 3-(difluoromethoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide?
3-(difluoromethoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide has a molecular weight of 360.39 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide is sourced from PubChem (CID 2671890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).