4-chloro-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1-ethylpyrazole-5-carboxamide

C16H13ClF2N4O2S — CID 19477346

IUPAC4-chloro-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(Cl)c1C(=O)Nc1nc(-c2ccc(OC(F)F)cc2)cs1
InChIInChI=1S/C16H13ClF2N4O2S/c1-2-23-13(11(17)7-20-23)14(24)22-16-21-12(8-26-16)9-3-5-10(6-4-9)25-15(18)19/h3-8,15H,2H2,1H3,(H,21,22,24)
InChIKeyXTOLRAKWCWMZTQ-UHFFFAOYSA-N
MW398.82 g/mol
LogP4.53
Rot. Bonds6

About 4-chloro-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1-ethylpyrazole-5-carboxamide

4-chloro-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1-ethylpyrazole-5-carboxamide (PubChem CID 19477346) has the molecular formula C16H13ClF2N4O2S and a molecular weight of 398.82 g/mol. Its IUPAC name is 4-chloro-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1-ethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1-ethylpyrazole-5-carboxamide
PubChem CID19477346
Molecular FormulaC16H13ClF2N4O2S
Molecular Weight398.82 g/mol
Exact Mass398.04
IUPAC Name4-chloro-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(Cl)c1C(=O)Nc1nc(-c2ccc(OC(F)F)cc2)cs1
InChIInChI=1S/C16H13ClF2N4O2S/c1-2-23-13(11(17)7-20-23)14(24)22-16-21-12(8-26-16)9-3-5-10(6-4-9)25-15(18)19/h3-8,15H,2H2,1H3,(H,21,22,24)
InChIKeyXTOLRAKWCWMZTQ-UHFFFAOYSA-N
XLogP4.53
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.82
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1-ethyl-4-nitropyrazole-5-carboxamide
CID 19476493
2-[(2-chlorophenoxy)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide
CID 19507202
N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1-(methoxymethyl)pyrazole-3-carboxamide
CID 19270926
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)benzamide
CID 2441454
3-(4-chlorophenyl)-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide
CID 19509508
4-chloro-N-[2-(difluoromethoxy)-5-methylphenyl]-1-ethylpyrazole-5-carboxamide
CID 19477315
N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carboxamide
CID 19465933
N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449472
N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide
CID 19582579
5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 19468096
5-[(4-tert-butylphenoxy)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 19452519
N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 19509204

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1-ethylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1-ethylpyrazole-5-carboxamide (CID 19477346) is 4-chloro-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1-ethylpyrazole-5-carboxamide is CCn1ncc(Cl)c1C(=O)Nc1nc(-c2ccc(OC(F)F)cc2)cs1.
What is the InChIKey of 4-chloro-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1-ethylpyrazole-5-carboxamide?
The InChIKey is XTOLRAKWCWMZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2N4O2S/c1-2-23-13(11(17)7-20-23)14(24)22-16-21-12(8-26-16)9-3-5-10(6-4-9)25-15(18)19/h3-8,15H,2H2,1H3,(H,21,22,24).
What are the key properties of 4-chloro-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1-ethylpyrazole-5-carboxamide?
4-chloro-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1-ethylpyrazole-5-carboxamide has a molecular weight of 398.82 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 19477346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).