N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide

C16H12F2N2O4S — CID 36862622

IUPACN-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2csc(-c3ccco3)n2)cc1OC(F)F
InChIInChI=1S/C16H12F2N2O4S/c1-22-11-5-4-9(7-13(11)24-16(17)18)19-14(21)10-8-25-15(20-10)12-3-2-6-23-12/h2-8,16H,1H3,(H,19,21)
InChIKeyLGLLXHCKWZDKIA-UHFFFAOYSA-N
MW366.35 g/mol
LogP4.27
Rot. Bonds6

About N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide

N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 36862622) has the molecular formula C16H12F2N2O4S and a molecular weight of 366.35 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID36862622
Molecular FormulaC16H12F2N2O4S
Molecular Weight366.35 g/mol
Exact Mass366.05
IUPAC NameN-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2csc(-c3ccco3)n2)cc1OC(F)F
InChIInChI=1S/C16H12F2N2O4S/c1-22-11-5-4-9(7-13(11)24-16(17)18)19-14(21)10-8-25-15(20-10)12-3-2-6-23-12/h2-8,16H,1H3,(H,19,21)
InChIKeyLGLLXHCKWZDKIA-UHFFFAOYSA-N
XLogP4.27
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19514034
N-(3-fluorophenyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36654704
2-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 36769984
2-(2,3-dimethoxyphenyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 24671897
N-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 48846338
N-(3-cyclopentyloxy-4-methoxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 31872936
N-[4-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36817379
propyl 4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]benzoate
CID 36744455
methyl 5-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-2-methoxybenzoate
CID 134018957
2-(furan-2-yl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 55748162
2-(furan-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 36703482
N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 55804728

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide (CID 36862622) is N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide is COc1ccc(NC(=O)c2csc(-c3ccco3)n2)cc1OC(F)F.
What is the InChIKey of N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is LGLLXHCKWZDKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O4S/c1-22-11-5-4-9(7-13(11)24-16(17)18)19-14(21)10-8-25-15(20-10)12-3-2-6-23-12/h2-8,16H,1H3,(H,19,21).
What are the key properties of N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide?
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 366.35 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 36862622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).