3-(difluoromethoxy)-4-methoxy-N-[4-(1-methylpyrrol-2-yl)-1,3-thiazol-2-yl]benzamide

C17H15F2N3O3S — CID 47045225

IUPAC3-(difluoromethoxy)-4-methoxy-N-[4-(1-methylpyrrol-2-yl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3cccn3C)cs2)cc1OC(F)F
InChIInChI=1S/C17H15F2N3O3S/c1-22-7-3-4-12(22)11-9-26-17(20-11)21-15(23)10-5-6-13(24-2)14(8-10)25-16(18)19/h3-9,16H,1-2H3,(H,20,21,23)
InChIKeyNMXBJQAXVFQWKI-UHFFFAOYSA-N
MW379.39 g/mol
LogP4.01
Rot. Bonds6

About 3-(difluoromethoxy)-4-methoxy-N-[4-(1-methylpyrrol-2-yl)-1,3-thiazol-2-yl]benzamide

3-(difluoromethoxy)-4-methoxy-N-[4-(1-methylpyrrol-2-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 47045225) has the molecular formula C17H15F2N3O3S and a molecular weight of 379.39 g/mol. Its IUPAC name is 3-(difluoromethoxy)-4-methoxy-N-[4-(1-methylpyrrol-2-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-4-methoxy-N-[4-(1-methylpyrrol-2-yl)-1,3-thiazol-2-yl]benzamide
PubChem CID47045225
Molecular FormulaC17H15F2N3O3S
Molecular Weight379.39 g/mol
Exact Mass379.08
IUPAC Name3-(difluoromethoxy)-4-methoxy-N-[4-(1-methylpyrrol-2-yl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3cccn3C)cs2)cc1OC(F)F
InChIInChI=1S/C17H15F2N3O3S/c1-22-7-3-4-12(22)11-9-26-17(20-11)21-15(23)10-5-6-13(24-2)14(8-10)25-16(18)19/h3-9,16H,1-2H3,(H,20,21,23)
InChIKeyNMXBJQAXVFQWKI-UHFFFAOYSA-N
XLogP4.01
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-(4-acetyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 26469303
4-(difluoromethoxy)-3-methoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78863411
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 7742220
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 19195103
4-(difluoromethylsulfanyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 24617220
N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 2676970
3-(difluoromethoxy)-4-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 46493268
3-chloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 6491053
4-acetyl-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 2321966
3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 5005400

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-4-methoxy-N-[4-(1-methylpyrrol-2-yl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-(difluoromethoxy)-4-methoxy-N-[4-(1-methylpyrrol-2-yl)-1,3-thiazol-2-yl]benzamide (CID 47045225) is 3-(difluoromethoxy)-4-methoxy-N-[4-(1-methylpyrrol-2-yl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-4-methoxy-N-[4-(1-methylpyrrol-2-yl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-(difluoromethoxy)-4-methoxy-N-[4-(1-methylpyrrol-2-yl)-1,3-thiazol-2-yl]benzamide is COc1ccc(C(=O)Nc2nc(-c3cccn3C)cs2)cc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-4-methoxy-N-[4-(1-methylpyrrol-2-yl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is NMXBJQAXVFQWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O3S/c1-22-7-3-4-12(22)11-9-26-17(20-11)21-15(23)10-5-6-13(24-2)14(8-10)25-16(18)19/h3-9,16H,1-2H3,(H,20,21,23).
What are the key properties of 3-(difluoromethoxy)-4-methoxy-N-[4-(1-methylpyrrol-2-yl)-1,3-thiazol-2-yl]benzamide?
3-(difluoromethoxy)-4-methoxy-N-[4-(1-methylpyrrol-2-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 379.39 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-4-methoxy-N-[4-(1-methylpyrrol-2-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 47045225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).