4-(difluoromethylsulfanyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide

C19H16F2N2O3S2 — CID 24617220

IUPAC4-(difluoromethylsulfanyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccc(SC(F)F)cc3)n2)cc1OC
InChIInChI=1S/C19H16F2N2O3S2/c1-25-15-8-5-12(9-16(15)26-2)14-10-27-19(22-14)23-17(24)11-3-6-13(7-4-11)28-18(20)21/h3-10,18H,1-2H3,(H,22,23,24)
InChIKeyYVBZMEDYFXTWBG-UHFFFAOYSA-N
MW422.48 g/mol
LogP5.39
Rot. Bonds7

About 4-(difluoromethylsulfanyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide

4-(difluoromethylsulfanyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 24617220) has the molecular formula C19H16F2N2O3S2 and a molecular weight of 422.48 g/mol. Its IUPAC name is 4-(difluoromethylsulfanyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfanyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID24617220
Molecular FormulaC19H16F2N2O3S2
Molecular Weight422.48 g/mol
Exact Mass422.06
IUPAC Name4-(difluoromethylsulfanyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccc(SC(F)F)cc3)n2)cc1OC
InChIInChI=1S/C19H16F2N2O3S2/c1-25-15-8-5-12(9-16(15)26-2)14-10-27-19(22-14)23-17(24)11-3-6-13(7-4-11)28-18(20)21/h3-10,18H,1-2H3,(H,22,23,24)
InChIKeyYVBZMEDYFXTWBG-UHFFFAOYSA-N
XLogP5.39
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.48
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-acetyl-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 2321966
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 16802872
3-chloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 6491053
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 7742220
3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 5005400
3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 4009017
N-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-methylbenzamide
CID 5229385
4-(diethylsulfamoyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3385540
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 121044329
4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3575429
N-[4-[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 19712262
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 43405521

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfanyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-(difluoromethylsulfanyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide (CID 24617220) is 4-(difluoromethylsulfanyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-(difluoromethylsulfanyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-(difluoromethylsulfanyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide is COc1ccc(-c2csc(NC(=O)c3ccc(SC(F)F)cc3)n2)cc1OC.
What is the InChIKey of 4-(difluoromethylsulfanyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is YVBZMEDYFXTWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O3S2/c1-25-15-8-5-12(9-16(15)26-2)14-10-27-19(22-14)23-17(24)11-3-6-13(7-4-11)28-18(20)21/h3-10,18H,1-2H3,(H,22,23,24).
What are the key properties of 4-(difluoromethylsulfanyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide?
4-(difluoromethylsulfanyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 422.48 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfanyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 24617220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).