2-(methoxymethyl)-5-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide

C18H17N3O2S — CID 166232023

IUPAC2-(methoxymethyl)-5-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCOCc1nc(C(=O)NCc2cccnc2)c(-c2ccccc2)s1
InChIInChI=1S/C18H17N3O2S/c1-23-12-15-21-16(17(24-15)14-7-3-2-4-8-14)18(22)20-11-13-6-5-9-19-10-13/h2-10H,11-12H2,1H3,(H,20,22)
InChIKeyDYDZKFWPVCJCNA-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.28
Rot. Bonds6

About 2-(methoxymethyl)-5-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide

2-(methoxymethyl)-5-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 166232023) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(methoxymethyl)-5-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID166232023
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-(methoxymethyl)-5-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCOCc1nc(C(=O)NCc2cccnc2)c(-c2ccccc2)s1
InChIInChI=1S/C18H17N3O2S/c1-23-12-15-21-16(17(24-15)14-7-3-2-4-8-14)18(22)20-11-13-6-5-9-19-10-13/h2-10H,11-12H2,1H3,(H,20,22)
InChIKeyDYDZKFWPVCJCNA-UHFFFAOYSA-N
XLogP3.28
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 71709188
5-methyl-2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 17441319
5-chloro-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 166322102
6-(3-methoxypropylamino)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 112853302
2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
2-N-(3-methoxypropyl)-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109095843
7-(methoxymethyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 3903244
N-(3-methoxypropyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 3113992
5-phenyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431716
1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(pyridin-3-ylmethyl)urea
CID 56824094
2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 166211099

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(methoxymethyl)-5-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide (CID 166232023) is 2-(methoxymethyl)-5-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(methoxymethyl)-5-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(methoxymethyl)-5-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide is COCc1nc(C(=O)NCc2cccnc2)c(-c2ccccc2)s1.
What is the InChIKey of 2-(methoxymethyl)-5-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is DYDZKFWPVCJCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-23-12-15-21-16(17(24-15)14-7-3-2-4-8-14)18(22)20-11-13-6-5-9-19-10-13/h2-10H,11-12H2,1H3,(H,20,22).
What are the key properties of 2-(methoxymethyl)-5-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
2-(methoxymethyl)-5-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 166232023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).