3-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(2-methylpyrazol-3-yl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-pyridin-3-ylphenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-pyridin-4-ylphenyl]propanamide

C79H75N9O8S — CID 158013128

IUPAC3-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(2-methylpyrazol-3-yl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-pyridin-3-ylphenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-pyridin-4-ylphenyl]propanamide
SMILESCc1nc(C)c(-c2ccc(-c3cccc(O)c3)c(CCC(N)=O)c2)s1.Cn1nccc1-c1ccc(-c2cccc(O)c2)c(CCC(N)=O)c1.NC(=O)CCc1cc(-c2cccnc2)ccc1-c1cccc(O)c1.NC(=O)CCc1cc(-c2ccncc2)ccc1-c1cccc(O)c1
InChIInChI=1S/C20H20N2O2S.2C20H18N2O2.C19H19N3O2/c1-12-20(25-13(2)22-12)16-6-8-18(14-4-3-5-17(23)11-14)15(10-16)7-9-19(21)24;21-20(24)9-7-16-11-14(17-4-2-10-22-13-17)6-8-19(16)15-3-1-5-18(23)12-15;21-20(24)7-5-17-12-15(14-8-10-22-11-9-14)4-6-19(17)16-2-1-3-18(23)13-16;1-22-18(9-10-21-22)15-5-7-17(13-3-2-4-16(23)12-13)14(11-15)6-8-19(20)24/h3-6,8,10-11,23H,7,9H2,1-2H3,(H2,21,24);1-6,8,10-13,23H,7,9H2,(H2,21,24);1-4,6,8-13,23H,5,7H2,(H2,21,24);2-5,7,9-12,23H,6,8H2,1H3,(H2,20,24)
InChIKeyFFDHMKMNAZYASI-UHFFFAOYSA-N
MW1310.59 g/mol
LogP14.17
Rot. Bonds20

About 3-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(2-methylpyrazol-3-yl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-pyridin-3-ylphenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-pyridin-4-ylphenyl]propanamide

3-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(2-methylpyrazol-3-yl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-pyridin-3-ylphenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-pyridin-4-ylphenyl]propanamide (PubChem CID 158013128) has the molecular formula C79H75N9O8S and a molecular weight of 1310.59 g/mol. Its IUPAC name is 3-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(2-methylpyrazol-3-yl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-pyridin-3-ylphenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-pyridin-4-ylphenyl]propanamide.

Molecular Properties

Compound Name3-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(2-methylpyrazol-3-yl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-pyridin-3-ylphenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-pyridin-4-ylphenyl]propanamide
PubChem CID158013128
Molecular FormulaC79H75N9O8S
Molecular Weight1310.59 g/mol
Exact Mass1309.55
IUPAC Name3-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(2-methylpyrazol-3-yl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-pyridin-3-ylphenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-pyridin-4-ylphenyl]propanamide
SMILESCc1nc(C)c(-c2ccc(-c3cccc(O)c3)c(CCC(N)=O)c2)s1.Cn1nccc1-c1ccc(-c2cccc(O)c2)c(CCC(N)=O)c1.NC(=O)CCc1cc(-c2cccnc2)ccc1-c1cccc(O)c1.NC(=O)CCc1cc(-c2ccncc2)ccc1-c1cccc(O)c1
InChIInChI=1S/C20H20N2O2S.2C20H18N2O2.C19H19N3O2/c1-12-20(25-13(2)22-12)16-6-8-18(14-4-3-5-17(23)11-14)15(10-16)7-9-19(21)24;21-20(24)9-7-16-11-14(17-4-2-10-22-13-17)6-8-19(16)15-3-1-5-18(23)12-15;21-20(24)7-5-17-12-15(14-8-10-22-11-9-14)4-6-19(17)16-2-1-3-18(23)13-16;1-22-18(9-10-21-22)15-5-7-17(13-3-2-4-16(23)12-13)14(11-15)6-8-19(20)24/h3-6,8,10-11,23H,7,9H2,1-2H3,(H2,21,24);1-6,8,10-13,23H,7,9H2,(H2,21,24);1-4,6,8-13,23H,5,7H2,(H2,21,24);2-5,7,9-12,23H,6,8H2,1H3,(H2,20,24)
InChIKeyFFDHMKMNAZYASI-UHFFFAOYSA-N
XLogP14.17
TPSA309.77 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms97
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001310.59
LogP ≤ 514.17
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Analyze 3-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(2-methylpyrazol-3-yl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-pyridin-3-ylphenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-pyridin-4-ylphenyl]propanamide with MolForge

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Related Compounds

3-[5-(3,5-dimethyl-2H-pyrrol-4-yl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[5-(3-fluoro-5-methylphenyl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(2-methylpyrazol-3-yl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(3-methylthiophen-2-yl)phenyl]propanamide
CID 162010077
3-[2-(3-hydroxyphenyl)-5-(4-methylthiophen-3-yl)phenyl]propanamide
CID 134229810
3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-pyridin-3-ylphenyl]propanamide
CID 134208754
CID 159681351
CID 159681351
3-[3-(3-amino-3-oxopropyl)-4-(3-hydroxyphenyl)phenyl]benzoic acid;3-[5-(4-aminophenyl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[5-(4-fluorophenyl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(3-methylphenyl)phenyl]propanamide
CID 159268536
3-[2-(3-hydroxyphenyl)-5-(trifluoromethyl)phenyl]propanamide
CID 172679117
3-[3-(chloromethyl)-4-pyridin-4-ylphenyl]pyridine
CID 46316472
3-[6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
CID 155563848
3-(3-pyridin-3-ylphenyl)pyridine;4-(3-pyridin-4-ylphenyl)pyridine
CID 158129947
3-[2-[3,5-bis(methanesulfonamido)phenyl]-5-pyrimidin-5-ylphenyl]propanamide
CID 134208666
2-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 39244014
2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
CID 23467885

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(2-methylpyrazol-3-yl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-pyridin-3-ylphenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-pyridin-4-ylphenyl]propanamide?
The IUPAC name of 3-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(2-methylpyrazol-3-yl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-pyridin-3-ylphenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-pyridin-4-ylphenyl]propanamide (CID 158013128) is 3-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(2-methylpyrazol-3-yl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-pyridin-3-ylphenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-pyridin-4-ylphenyl]propanamide.
What is the SMILES notation for 3-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(2-methylpyrazol-3-yl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-pyridin-3-ylphenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-pyridin-4-ylphenyl]propanamide?
The canonical SMILES for 3-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(2-methylpyrazol-3-yl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-pyridin-3-ylphenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-pyridin-4-ylphenyl]propanamide is Cc1nc(C)c(-c2ccc(-c3cccc(O)c3)c(CCC(N)=O)c2)s1.Cn1nccc1-c1ccc(-c2cccc(O)c2)c(CCC(N)=O)c1.NC(=O)CCc1cc(-c2cccnc2)ccc1-c1cccc(O)c1.NC(=O)CCc1cc(-c2ccncc2)ccc1-c1cccc(O)c1.
What is the InChIKey of 3-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(2-methylpyrazol-3-yl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-pyridin-3-ylphenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-pyridin-4-ylphenyl]propanamide?
The InChIKey is FFDHMKMNAZYASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S.2C20H18N2O2.C19H19N3O2/c1-12-20(25-13(2)22-12)16-6-8-18(14-4-3-5-17(23)11-14)15(10-16)7-9-19(21)24;21-20(24)9-7-16-11-14(17-4-2-10-22-13-17)6-8-19(16)15-3-1-5-18(23)12-15;21-20(24)7-5-17-12-15(14-8-10-22-11-9-14)4-6-19(17)16-2-1-3-18(23)13-16;1-22-18(9-10-21-22)15-5-7-17(13-3-2-4-16(23)12-13)14(11-15)6-8-19(20)24/h3-6,8,10-11,23H,7,9H2,1-2H3,(H2,21,24);1-6,8,10-13,23H,7,9H2,(H2,21,24);1-4,6,8-13,23H,5,7H2,(H2,21,24);2-5,7,9-12,23H,6,8H2,1H3,(H2,20,24).
What are the key properties of 3-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(2-methylpyrazol-3-yl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-pyridin-3-ylphenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-pyridin-4-ylphenyl]propanamide?
3-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(2-methylpyrazol-3-yl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-pyridin-3-ylphenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-pyridin-4-ylphenyl]propanamide has a molecular weight of 1310.59 g/mol, XLogP of 14.17, 20 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(2-methylpyrazol-3-yl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-pyridin-3-ylphenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-pyridin-4-ylphenyl]propanamide is sourced from PubChem (CID 158013128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).