N-(3-ethoxy-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C12H10F3N3O2S — CID 84560535

IUPACN-(3-ethoxy-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCCOc1cccnc1NC(=O)c1scnc1C(F)(F)F
InChIInChI=1S/C12H10F3N3O2S/c1-2-20-7-4-3-5-16-10(7)18-11(19)8-9(12(13,14)15)17-6-21-8/h3-6H,2H2,1H3,(H,16,18,19)
InChIKeyMJWNFKKDMBISOB-UHFFFAOYSA-N
MW317.29 g/mol
LogP3.21
Rot. Bonds4

About N-(3-ethoxy-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

N-(3-ethoxy-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 84560535) has the molecular formula C12H10F3N3O2S and a molecular weight of 317.29 g/mol. Its IUPAC name is N-(3-ethoxy-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxy-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID84560535
Molecular FormulaC12H10F3N3O2S
Molecular Weight317.29 g/mol
Exact Mass317.04
IUPAC NameN-(3-ethoxy-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCCOc1cccnc1NC(=O)c1scnc1C(F)(F)F
InChIInChI=1S/C12H10F3N3O2S/c1-2-20-7-4-3-5-16-10(7)18-11(19)8-9(12(13,14)15)17-6-21-8/h3-6H,2H2,1H3,(H,16,18,19)
InChIKeyMJWNFKKDMBISOB-UHFFFAOYSA-N
XLogP3.21
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84554403
N-(2-propoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84554452
ethyl 4,5-dimethyl-2-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]thiophene-3-carboxylate
CID 84561349
N-(3-methylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84555128
ethyl 4-phenyl-2-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]thiophene-3-carboxylate
CID 84560238
3,4,5-triethoxy-N-(3-hydroxy-2-pyridinyl)benzamide
CID 18109391
N-(4-propan-2-ylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84554602
methyl 4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 99978957
N-hexyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84558309
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 55833366
3-(2-ethoxyphenyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035864
2-amino-N-(3-chloro-2-pyridinyl)-6-ethoxybenzamide
CID 103093864

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-ethoxy-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 84560535) is N-(3-ethoxy-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-ethoxy-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-ethoxy-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is CCOc1cccnc1NC(=O)c1scnc1C(F)(F)F.
What is the InChIKey of N-(3-ethoxy-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is MJWNFKKDMBISOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2S/c1-2-20-7-4-3-5-16-10(7)18-11(19)8-9(12(13,14)15)17-6-21-8/h3-6H,2H2,1H3,(H,16,18,19).
What are the key properties of N-(3-ethoxy-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-(3-ethoxy-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 317.29 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 84560535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).