N-(2-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide

C16H13F3N4O2S — CID 1481772

IUPACN-(2-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1csc(-n2nc(C)cc2C(F)(F)F)n1
InChIInChI=1S/C16H13F3N4O2S/c1-9-7-13(16(17,18)19)23(22-9)15-21-11(8-26-15)14(24)20-10-5-3-4-6-12(10)25-2/h3-8H,1-2H3,(H,20,24)
InChIKeyVLUIBJJACAGRQP-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.92
Rot. Bonds4

About N-(2-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide

N-(2-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide (PubChem CID 1481772) has the molecular formula C16H13F3N4O2S and a molecular weight of 382.37 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
PubChem CID1481772
Molecular FormulaC16H13F3N4O2S
Molecular Weight382.37 g/mol
Exact Mass382.07
IUPAC NameN-(2-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1csc(-n2nc(C)cc2C(F)(F)F)n1
InChIInChI=1S/C16H13F3N4O2S/c1-9-7-13(16(17,18)19)23(22-9)15-21-11(8-26-15)14(24)20-10-5-3-4-6-12(10)25-2/h3-8H,1-2H3,(H,20,24)
InChIKeyVLUIBJJACAGRQP-UHFFFAOYSA-N
XLogP3.92
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-((2-methoxyphenyl)amino)-4'-methyl-[4,5'-bithiazol]-2'-yl)acetamide
CID 1117189
Pyrazole scaffold, 13
CID 25218469
N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 11958501
4-methoxy-N'-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)benzenesulfonohydrazide
CID 3845999
N'-[(E)-(3-methoxyphenyl)methylidene]-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide
CID 9559898
N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]hexanamide
CID 11958459
N-[5-[2-(2-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]pentanamide
CID 11958605
N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]butanamide
CID 11958606
N-(2-methoxyphenyl)-N'-{1-[1-(1,3-thiazol-4-ylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl}urea
CID 24817623
N-{2-[(2-methoxyphenyl)amino]-4'-methyl-4,5'-bi-1,3-thiazol-2'-yl}propanamide
CID 1117190
N'-[(E)-(4-methoxyphenyl)methylidene]-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide
CID 5815372
N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]pent-4-enamide
CID 11958604

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide (CID 1481772) is N-(2-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide is COc1ccccc1NC(=O)c1csc(-n2nc(C)cc2C(F)(F)F)n1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is VLUIBJJACAGRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O2S/c1-9-7-13(16(17,18)19)23(22-9)15-21-11(8-26-15)14(24)20-10-5-3-4-6-12(10)25-2/h3-8H,1-2H3,(H,20,24).
What are the key properties of N-(2-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide?
N-(2-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 382.37 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 1481772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).