N-[4-(difluoromethoxy)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

C13H12F2N2O2S — CID 26894836

IUPACN-[4-(difluoromethoxy)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(OC(F)F)cc2)s1
InChIInChI=1S/C13H12F2N2O2S/c1-7-11(20-8(2)16-7)12(18)17-9-3-5-10(6-4-9)19-13(14)15/h3-6,13H,1-2H3,(H,17,18)
InChIKeyQMLXVOZRJYETGL-UHFFFAOYSA-N
MW298.31 g/mol
LogP3.61
Rot. Bonds4

About N-[4-(difluoromethoxy)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-[4-(difluoromethoxy)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 26894836) has the molecular formula C13H12F2N2O2S and a molecular weight of 298.31 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID26894836
Molecular FormulaC13H12F2N2O2S
Molecular Weight298.31 g/mol
Exact Mass298.06
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(OC(F)F)cc2)s1
InChIInChI=1S/C13H12F2N2O2S/c1-7-11(20-8(2)16-7)12(18)17-9-3-5-10(6-4-9)19-13(14)15/h3-6,13H,1-2H3,(H,17,18)
InChIKeyQMLXVOZRJYETGL-UHFFFAOYSA-N
XLogP3.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Thifluzamide
CID 86389
2-chloro-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 850738
5-(4-Methoxyphenyl)-2,7-dimethylthiazolo(4,5-d)pyridazin-4(5H)-one
CID 2745472
N-(4-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 4305027
2-chloro-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 850554
4-amino-N-(4-methoxyphenyl)-2-(methylthio)-5-thiazolecarboxamide
CID 325656
2-chloro-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 850702
N-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532889
2-ethynyl-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 168270993
2-(Cyclopropanecarbonyl-amino)-4-methyl-thiazole-5-carboxylic acid (4-methoxy-phenyl)-amide
CID 857269
2-chloro-N-(4-methoxyphenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 850475
Ethanone, 1-[2-[(4-methoxyphenyl)amino]-4-methyl-5-thiazolyl]-
CID 746628

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 26894836) is N-[4-(difluoromethoxy)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2ccc(OC(F)F)cc2)s1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is QMLXVOZRJYETGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2S/c1-7-11(20-8(2)16-7)12(18)17-9-3-5-10(6-4-9)19-13(14)15/h3-6,13H,1-2H3,(H,17,18).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[4-(difluoromethoxy)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 298.31 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 26894836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).