N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]thiophene-2-carboxamide

C21H16N2O2S2 — CID 2281805

IUPACN-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESCOc1ccc(-c2sc(NC(=O)c3cccs3)nc2-c2ccccc2)cc1
InChIInChI=1S/C21H16N2O2S2/c1-25-16-11-9-15(10-12-16)19-18(14-6-3-2-4-7-14)22-21(27-19)23-20(24)17-8-5-13-26-17/h2-13H,1H3,(H,22,23,24)
InChIKeyPBYYWFNOHZMWIQ-UHFFFAOYSA-N
MW392.51 g/mol
LogP5.80
Rot. Bonds5

About N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]thiophene-2-carboxamide

N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 2281805) has the molecular formula C21H16N2O2S2 and a molecular weight of 392.51 g/mol. Its IUPAC name is N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID2281805
Molecular FormulaC21H16N2O2S2
Molecular Weight392.51 g/mol
Exact Mass392.07
IUPAC NameN-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESCOc1ccc(-c2sc(NC(=O)c3cccs3)nc2-c2ccccc2)cc1
InChIInChI=1S/C21H16N2O2S2/c1-25-16-11-9-15(10-12-16)19-18(14-6-3-2-4-7-14)22-21(27-19)23-20(24)17-8-5-13-26-17/h2-13H,1H3,(H,22,23,24)
InChIKeyPBYYWFNOHZMWIQ-UHFFFAOYSA-N
XLogP5.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.51
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 1207301
N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 1348974
N-(5-amino-4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 82342247
methyl N-(4,5-diphenyl-1,3-thiazol-2-yl)carbamate
CID 1244319
N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 4107144
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 3151931
N-[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]propanamide
CID 22993762
(4S)-N-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-hydroxy-4-phenylbutanamide
CID 126213988
N-(4,5-diphenyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043163
2-chloro-N-[4-(4-methoxyphenyl)-5-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 2257408
N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 126057357
4-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 2832302

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 2281805) is N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]thiophene-2-carboxamide is COc1ccc(-c2sc(NC(=O)c3cccs3)nc2-c2ccccc2)cc1.
What is the InChIKey of N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is PBYYWFNOHZMWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2S2/c1-25-16-11-9-15(10-12-16)19-18(14-6-3-2-4-7-14)22-21(27-19)23-20(24)17-8-5-13-26-17/h2-13H,1H3,(H,22,23,24).
What are the key properties of N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]thiophene-2-carboxamide?
N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 392.51 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 2281805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).