N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide

C24H21N3O3S — CID 10094283

IUPACN-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide
SMILESCOc1ccc(-c2nc(CNC(=O)c3cccnc3)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H21N3O3S/c1-29-19-9-5-16(6-10-19)22-23(17-7-11-20(30-2)12-8-17)31-21(27-22)15-26-24(28)18-4-3-13-25-14-18/h3-14H,15H2,1-2H3,(H,26,28)
InChIKeyMGRLKUKNRDMKJB-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.82
Rot. Bonds7

About N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide

N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide (PubChem CID 10094283) has the molecular formula C24H21N3O3S and a molecular weight of 431.52 g/mol. Its IUPAC name is N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide
PubChem CID10094283
Molecular FormulaC24H21N3O3S
Molecular Weight431.52 g/mol
Exact Mass431.13
IUPAC NameN-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide
SMILESCOc1ccc(-c2nc(CNC(=O)c3cccnc3)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H21N3O3S/c1-29-19-9-5-16(6-10-19)22-23(17-7-11-20(30-2)12-8-17)31-21(27-22)15-26-24(28)18-4-3-13-25-14-18/h3-14H,15H2,1-2H3,(H,26,28)
InChIKeyMGRLKUKNRDMKJB-UHFFFAOYSA-N
XLogP4.82
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

VU0152100
CID 864492
N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 2093193
3-amino-N-(4-fluorophenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1002397
3-(4-Methoxy-phenyl)-1-methyl-5-thiazol-2-yl-1H-[2,4'']bipyridinyl-6-one
CID 9885954
5-(4-Methoxyphenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-4-ylpyridin-2-one
CID 10475456
3-(4-Cyclopropyl-1,3-thiazol-2-yl)-5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-ylpyridin-2-one
CID 10949738
N-(3-methoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 23093844
N-[(5-Cyclopropyl-6-methoxy-2-pyridinyl)methyl]-5a(2)-methyl-5-(2-thiazolyl)[2,3a(2)-bipyridine]-4-carboxamide
CID 46191729
2-{[(2E)-3-(4-Methoxyphenyl)-2-propenoyl]amino}-N-(3-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1296836
N-(4-phenoxyphenyl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644856
3-amino-6-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 1004082
N-(2-(4-Methoxyphenyl)-2-morpholinoethyl)-2-(methylthio)nicotinamide
CID 2997636

Frequently Asked Questions

What is the IUPAC name of N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide (CID 10094283) is N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide is COc1ccc(-c2nc(CNC(=O)c3cccnc3)sc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide?
The InChIKey is MGRLKUKNRDMKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S/c1-29-19-9-5-16(6-10-19)22-23(17-7-11-20(30-2)12-8-17)31-21(27-22)15-26-24(28)18-4-3-13-25-14-18/h3-14H,15H2,1-2H3,(H,26,28).
What are the key properties of N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide?
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide has a molecular weight of 431.52 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 10094283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).