N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1-(methoxymethyl)pyrazole-3-carboxamide

C16H14F2N4O3S — CID 19270926

IUPACN-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1-(methoxymethyl)pyrazole-3-carboxamide
SMILESCOCn1ccc(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)n1
InChIInChI=1S/C16H14F2N4O3S/c1-24-9-22-7-6-12(21-22)14(23)20-16-19-13(8-26-16)10-2-4-11(5-3-10)25-15(17)18/h2-8,15H,9H2,1H3,(H,19,20,23)
InChIKeySZTGYPLMJBWMME-UHFFFAOYSA-N
MW380.38 g/mol
LogP3.46
Rot. Bonds7

About N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1-(methoxymethyl)pyrazole-3-carboxamide

N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1-(methoxymethyl)pyrazole-3-carboxamide (PubChem CID 19270926) has the molecular formula C16H14F2N4O3S and a molecular weight of 380.38 g/mol. Its IUPAC name is N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1-(methoxymethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1-(methoxymethyl)pyrazole-3-carboxamide
PubChem CID19270926
Molecular FormulaC16H14F2N4O3S
Molecular Weight380.38 g/mol
Exact Mass380.08
IUPAC NameN-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1-(methoxymethyl)pyrazole-3-carboxamide
SMILESCOCn1ccc(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)n1
InChIInChI=1S/C16H14F2N4O3S/c1-24-9-22-7-6-12(21-22)14(23)20-16-19-13(8-26-16)10-2-4-11(5-3-10)25-15(17)18/h2-8,15H,9H2,1H3,(H,19,20,23)
InChIKeySZTGYPLMJBWMME-UHFFFAOYSA-N
XLogP3.46
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)benzamide
CID 2441454
4-chloro-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1-ethylpyrazole-5-carboxamide
CID 19477346
N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 19509204
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
3-(4-chlorophenyl)-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide
CID 19509508
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1-propan-2-ylpyrazole-3-carboxamide
CID 121061476
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-ethyl-4-nitropyrazole-5-carboxamide
CID 19476493
1-[(4-chlorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 4774579
N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414202
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 19454905

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1-(methoxymethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1-(methoxymethyl)pyrazole-3-carboxamide (CID 19270926) is N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1-(methoxymethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1-(methoxymethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1-(methoxymethyl)pyrazole-3-carboxamide is COCn1ccc(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)n1.
What is the InChIKey of N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1-(methoxymethyl)pyrazole-3-carboxamide?
The InChIKey is SZTGYPLMJBWMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O3S/c1-24-9-22-7-6-12(21-22)14(23)20-16-19-13(8-26-16)10-2-4-11(5-3-10)25-15(17)18/h2-8,15H,9H2,1H3,(H,19,20,23).
What are the key properties of N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1-(methoxymethyl)pyrazole-3-carboxamide?
N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1-(methoxymethyl)pyrazole-3-carboxamide has a molecular weight of 380.38 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1-(methoxymethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19270926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).