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

C14H13F3N2O2S — CID 84554452

IUPACN-(2-propoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCCCOc1ccccc1NC(=O)c1scnc1C(F)(F)F
InChIInChI=1S/C14H13F3N2O2S/c1-2-7-21-10-6-4-3-5-9(10)19-13(20)11-12(14(15,16)17)18-8-22-11/h3-6,8H,2,7H2,1H3,(H,19,20)
InChIKeyLLZJZYWVYYOZMI-UHFFFAOYSA-N
MW330.33 g/mol
LogP4.20
Rot. Bonds5

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

N-(2-propoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 84554452) has the molecular formula C14H13F3N2O2S and a molecular weight of 330.33 g/mol. Its IUPAC name is N-(2-propoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-propoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID84554452
Molecular FormulaC14H13F3N2O2S
Molecular Weight330.33 g/mol
Exact Mass330.06
IUPAC NameN-(2-propoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCCCOc1ccccc1NC(=O)c1scnc1C(F)(F)F
InChIInChI=1S/C14H13F3N2O2S/c1-2-7-21-10-6-4-3-5-9(10)19-13(20)11-12(14(15,16)17)18-8-22-11/h3-6,8H,2,7H2,1H3,(H,19,20)
InChIKeyLLZJZYWVYYOZMI-UHFFFAOYSA-N
XLogP4.20
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethoxy-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84560535
2-amino-2-methyl-N-(2-propoxyphenyl)propanamide
CID 61265402
methyl N-(2-propoxyphenyl)carbamate
CID 19872099
3,4,5-triethoxy-N-(2-propoxyphenyl)benzamide
CID 7941942
2-bromo-2-methyl-N-(2-propoxyphenyl)propanamide
CID 114327800
2,3-difluoro-N-(2-propoxyphenyl)pyridine-4-carboxamide
CID 105380665
5-methyl-N-(2-propoxyphenyl)pyrazine-2-carboxamide
CID 17446893
3-fluoro-N-(2-propoxyphenyl)pyridine-4-carboxamide
CID 115645463
N-hexyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84558309
1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319
1-naphthalen-1-yl-3-(2-propoxyphenyl)urea
CID 2067216
4-(bromomethyl)-N-(2-propoxyphenyl)benzamide
CID 102851101

Frequently Asked Questions

What is the IUPAC name of N-(2-propoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-propoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 84554452) is N-(2-propoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-propoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-propoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is CCCOc1ccccc1NC(=O)c1scnc1C(F)(F)F.
What is the InChIKey of N-(2-propoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is LLZJZYWVYYOZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2S/c1-2-7-21-10-6-4-3-5-9(10)19-13(20)11-12(14(15,16)17)18-8-22-11/h3-6,8H,2,7H2,1H3,(H,19,20).
What are the key properties of N-(2-propoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-(2-propoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 330.33 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 84554452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).