4-methyl-N-(6-phenylmethoxy-3-pyridinyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

C22H18N4O2S — CID 55879949

IUPAC4-methyl-N-(6-phenylmethoxy-3-pyridinyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(OCc2ccccc2)nc1
InChIInChI=1S/C22H18N4O2S/c1-15-20(29-22(25-15)18-9-5-6-12-23-18)21(27)26-17-10-11-19(24-13-17)28-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,26,27)
InChIKeyUYRYWVICGCEYJK-UHFFFAOYSA-N
MW402.48 g/mol
LogP4.74
Rot. Bonds6

About 4-methyl-N-(6-phenylmethoxy-3-pyridinyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

4-methyl-N-(6-phenylmethoxy-3-pyridinyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 55879949) has the molecular formula C22H18N4O2S and a molecular weight of 402.48 g/mol. Its IUPAC name is 4-methyl-N-(6-phenylmethoxy-3-pyridinyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(6-phenylmethoxy-3-pyridinyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID55879949
Molecular FormulaC22H18N4O2S
Molecular Weight402.48 g/mol
Exact Mass402.12
IUPAC Name4-methyl-N-(6-phenylmethoxy-3-pyridinyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(OCc2ccccc2)nc1
InChIInChI=1S/C22H18N4O2S/c1-15-20(29-22(25-15)18-9-5-6-12-23-18)21(27)26-17-10-11-19(24-13-17)28-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,26,27)
InChIKeyUYRYWVICGCEYJK-UHFFFAOYSA-N
XLogP4.74
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-phenyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole-5-carboxamide
CID 46470345
N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138512
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 26737436
N-(4-cyanophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 17481163
N-(3-chlorophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138637
N-(3-chloro-4-fluorophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9255638
4-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 78890221
N-(3-acetamido-4-methoxyphenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 33308450
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 38808470
4-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 18107589
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55457394
4-methyl-2-pyridin-2-yl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 146710066

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(6-phenylmethoxy-3-pyridinyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(6-phenylmethoxy-3-pyridinyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 55879949) is 4-methyl-N-(6-phenylmethoxy-3-pyridinyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(6-phenylmethoxy-3-pyridinyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(6-phenylmethoxy-3-pyridinyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(OCc2ccccc2)nc1.
What is the InChIKey of 4-methyl-N-(6-phenylmethoxy-3-pyridinyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is UYRYWVICGCEYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2S/c1-15-20(29-22(25-15)18-9-5-6-12-23-18)21(27)26-17-10-11-19(24-13-17)28-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,26,27).
What are the key properties of 4-methyl-N-(6-phenylmethoxy-3-pyridinyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-(6-phenylmethoxy-3-pyridinyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(6-phenylmethoxy-3-pyridinyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55879949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).