3-(difluoromethoxy)-4-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

C18H15F2N3O3S — CID 46493268

IUPAC3-(difluoromethoxy)-4-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc(C)c(-c3ccccn3)s2)cc1OC(F)F
InChIInChI=1S/C18H15F2N3O3S/c1-10-15(12-5-3-4-8-21-12)27-18(22-10)23-16(24)11-6-7-13(25-2)14(9-11)26-17(19)20/h3-9,17H,1-2H3,(H,22,23,24)
InChIKeyYMVLRCVLSMRAJV-UHFFFAOYSA-N
MW391.40 g/mol
LogP4.38
Rot. Bonds6

About 3-(difluoromethoxy)-4-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

3-(difluoromethoxy)-4-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 46493268) has the molecular formula C18H15F2N3O3S and a molecular weight of 391.40 g/mol. Its IUPAC name is 3-(difluoromethoxy)-4-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-4-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID46493268
Molecular FormulaC18H15F2N3O3S
Molecular Weight391.40 g/mol
Exact Mass391.08
IUPAC Name3-(difluoromethoxy)-4-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc(C)c(-c3ccccn3)s2)cc1OC(F)F
InChIInChI=1S/C18H15F2N3O3S/c1-10-15(12-5-3-4-8-21-12)27-18(22-10)23-16(24)11-6-7-13(25-2)14(9-11)26-17(19)20/h3-9,17H,1-2H3,(H,22,23,24)
InChIKeyYMVLRCVLSMRAJV-UHFFFAOYSA-N
XLogP4.38
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide
CID 46511812
4-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 31154800
N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide
CID 31154524
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 31153670
N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 2676970
6-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 31519632
4-ethoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-nitrobenzamide
CID 31519461
4-(dimethylamino)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 31155104
4-amino-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-nitrobenzamide
CID 31154743
2,6-difluoro-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 31171489
4-methoxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-pyridin-2-ylbenzamide
CID 75389227
4-(difluoromethoxy)-3-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 31892120

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-4-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-(difluoromethoxy)-4-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (CID 46493268) is 3-(difluoromethoxy)-4-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-4-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-(difluoromethoxy)-4-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is COc1ccc(C(=O)Nc2nc(C)c(-c3ccccn3)s2)cc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-4-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is YMVLRCVLSMRAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O3S/c1-10-15(12-5-3-4-8-21-12)27-18(22-10)23-16(24)11-6-7-13(25-2)14(9-11)26-17(19)20/h3-9,17H,1-2H3,(H,22,23,24).
What are the key properties of 3-(difluoromethoxy)-4-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
3-(difluoromethoxy)-4-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 391.40 g/mol, XLogP of 4.38, 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-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 46493268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).