N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide

C17H15FN2O2S2 — CID 19493313

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
SMILESCc1nc(NC(=O)c2cc(COc3cccc(F)c3)cs2)sc1C
InChIInChI=1S/C17H15FN2O2S2/c1-10-11(2)24-17(19-10)20-16(21)15-6-12(9-23-15)8-22-14-5-3-4-13(18)7-14/h3-7,9H,8H2,1-2H3,(H,19,20,21)
InChIKeyHQUSUVYPAJZKIO-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.79
Rot. Bonds5

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19493313) has the molecular formula C17H15FN2O2S2 and a molecular weight of 362.45 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
PubChem CID19493313
Molecular FormulaC17H15FN2O2S2
Molecular Weight362.45 g/mol
Exact Mass362.06
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
SMILESCc1nc(NC(=O)c2cc(COc3cccc(F)c3)cs2)sc1C
InChIInChI=1S/C17H15FN2O2S2/c1-10-11(2)24-17(19-10)20-16(21)15-6-12(9-23-15)8-22-14-5-3-4-13(18)7-14/h3-7,9H,8H2,1-2H3,(H,19,20,21)
InChIKeyHQUSUVYPAJZKIO-UHFFFAOYSA-N
XLogP4.79
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-fluorophenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 19493220
4-[(2,6-dimethylphenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 19488696
4-[(3-fluorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide
CID 19493237
N-(4-acetylphenyl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19493180
N-(3-chlorophenyl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19493225
4-[(3-fluorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-carboxamide
CID 19493284
4-[(3-fluorophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19493164
N-(3,4-difluorophenyl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491098
4-[(3-methylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide
CID 19491150
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19493138
N-[1-(4-tert-butylphenyl)ethyl]-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19493248
N-(4-chloro-2-nitrophenyl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19493194

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide (CID 19493313) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide is Cc1nc(NC(=O)c2cc(COc3cccc(F)c3)cs2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is HQUSUVYPAJZKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S2/c1-10-11(2)24-17(19-10)20-16(21)15-6-12(9-23-15)8-22-14-5-3-4-13(18)7-14/h3-7,9H,8H2,1-2H3,(H,19,20,21).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19493313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).