N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-carboxamide

C17H16N2O2S2 — CID 7119205

IUPACN-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-carboxamide
SMILESCOc1ccc(-c2nc(CCNC(=O)c3cccs3)cs2)cc1
InChIInChI=1S/C17H16N2O2S2/c1-21-14-6-4-12(5-7-14)17-19-13(11-23-17)8-9-18-16(20)15-3-2-10-22-15/h2-7,10-11H,8-9H2,1H3,(H,18,20)
InChIKeyUOWDNAFPLIFFHR-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.85
Rot. Bonds6

About N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-carboxamide

N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-carboxamide (PubChem CID 7119205) has the molecular formula C17H16N2O2S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-carboxamide
PubChem CID7119205
Molecular FormulaC17H16N2O2S2
Molecular Weight344.46 g/mol
Exact Mass344.07
IUPAC NameN-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-carboxamide
SMILESCOc1ccc(-c2nc(CCNC(=O)c3cccs3)cs2)cc1
InChIInChI=1S/C17H16N2O2S2/c1-21-14-6-4-12(5-7-14)17-19-13(11-23-17)8-9-18-16(20)15-3-2-10-22-15/h2-7,10-11H,8-9H2,1H3,(H,18,20)
InChIKeyUOWDNAFPLIFFHR-UHFFFAOYSA-N
XLogP3.85
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 862702
N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2567479
2-(2-methoxyphenyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 2738815
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
CID 7119107
4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 852133
3-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
CID 123759102
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 155755083
3-[2-(4-Methoxyphenyl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 22638602
Thiophene-2-carboxylic acid (3-diethylamino-propyl)-[4-(4-methoxy-phenyl)-thiazol-2-yl]-amide
CID 653546
Thiophene-2-carboxylic acid [4-(4-methoxy-phenyl)-thiazol-2-yl]-(tetrahydro-furan-2-ylmethyl)-amide
CID 654583
4-methoxy-N-(4-(thiophen-2-yl)thiazol-2-yl)benzamide
CID 746912
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylthiophene-2-carboxamide
CID 862691

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-carboxamide (CID 7119205) is N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-carboxamide is COc1ccc(-c2nc(CCNC(=O)c3cccs3)cs2)cc1.
What is the InChIKey of N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is UOWDNAFPLIFFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S2/c1-21-14-6-4-12(5-7-14)17-19-13(11-23-17)8-9-18-16(20)15-3-2-10-22-15/h2-7,10-11H,8-9H2,1H3,(H,18,20).
What are the key properties of N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-carboxamide?
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 7119205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).