N-benzyl-4-methyl-2-(2-oxo-4-phenylmethoxy-1-pyridinyl)-1,3-thiazole-5-carboxamide

C24H21N3O3S — CID 24983658

IUPACN-benzyl-4-methyl-2-(2-oxo-4-phenylmethoxy-1-pyridinyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2ccc(OCc3ccccc3)cc2=O)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C24H21N3O3S/c1-17-22(23(29)25-15-18-8-4-2-5-9-18)31-24(26-17)27-13-12-20(14-21(27)28)30-16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3,(H,25,29)
InChIKeyDIPVPFWFBPWNMR-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.11
Rot. Bonds7

About N-benzyl-4-methyl-2-(2-oxo-4-phenylmethoxy-1-pyridinyl)-1,3-thiazole-5-carboxamide

N-benzyl-4-methyl-2-(2-oxo-4-phenylmethoxy-1-pyridinyl)-1,3-thiazole-5-carboxamide (PubChem CID 24983658) has the molecular formula C24H21N3O3S and a molecular weight of 431.52 g/mol. Its IUPAC name is N-benzyl-4-methyl-2-(2-oxo-4-phenylmethoxy-1-pyridinyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-2-(2-oxo-4-phenylmethoxy-1-pyridinyl)-1,3-thiazole-5-carboxamide
PubChem CID24983658
Molecular FormulaC24H21N3O3S
Molecular Weight431.52 g/mol
Exact Mass431.13
IUPAC NameN-benzyl-4-methyl-2-(2-oxo-4-phenylmethoxy-1-pyridinyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2ccc(OCc3ccccc3)cc2=O)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C24H21N3O3S/c1-17-22(23(29)25-15-18-8-4-2-5-9-18)31-24(26-17)27-13-12-20(14-21(27)28)30-16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3,(H,25,29)
InChIKeyDIPVPFWFBPWNMR-UHFFFAOYSA-N
XLogP4.11
TPSA73.22 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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 24881032
N-benzyl-4-methyl-2-(2-oxo-4-phenethylpyridin-1(2H)-yl)thiazole-5-carboxamide
CID 24984128
N-benzyl-4-methyl-2-(2-oxo-4-phenylpyridin-1(2H)-yl)thiazole-5-carboxamide
CID 24984927
N-Benzyl-2-(4-methoxy-2-oxopyridin-1(2H)-yl)-4-methylthiazole-5-carboxamide
CID 24985101
2-(4-Amino-2-oxopyridin-1(2H)-yl)-N-benzyl-4-methylthiazole-5-carboxamide
CID 24985270
N-Benzyl-4-methyl-2-(2-oxopyridin-1(2H)-yl)thiazole-5-carboxamide
CID 24985271
N-(3-Fluorobenzyl)-2-(4-hydroxy-2-oxopyridin-1(2H)-yl)-4-methylthiazole-5-carboxamide
CID 54742333
N-(4-Fluorophenethyl)-2-(4-hydroxy-2-oxopyridin-1(2H)-yl)-4-methylthiazole-5-carboxamide
CID 54742336
N-benzyl-2-(4-hydroxy-2-oxopyridin-1(2H)-yl)-4-methylthiazole-5-carboxamide
CID 54742338
N-(4-Fluorobenzyl)-2-(4-hydroxy-2-oxopyridin-1(2H)-yl)-4-methylthiazole-5-carboxamide
CID 54742339
N-Benzyl-2-(4-cyclopropyl-2-oxopyridin-1(2H)-yl)-4-methylthiazole-5-carboxamide
CID 57744441
N-Benzyl-4-methyl-2-(2-oxo-4-((tetrahydrofuran-2-yl)methoxy)pyridin-1(2H)-yl)thiazole-5-carboxamide
CID 57744449

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-2-(2-oxo-4-phenylmethoxy-1-pyridinyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-4-methyl-2-(2-oxo-4-phenylmethoxy-1-pyridinyl)-1,3-thiazole-5-carboxamide (CID 24983658) is N-benzyl-4-methyl-2-(2-oxo-4-phenylmethoxy-1-pyridinyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-4-methyl-2-(2-oxo-4-phenylmethoxy-1-pyridinyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-4-methyl-2-(2-oxo-4-phenylmethoxy-1-pyridinyl)-1,3-thiazole-5-carboxamide is Cc1nc(-n2ccc(OCc3ccccc3)cc2=O)sc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-methyl-2-(2-oxo-4-phenylmethoxy-1-pyridinyl)-1,3-thiazole-5-carboxamide?
The InChIKey is DIPVPFWFBPWNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S/c1-17-22(23(29)25-15-18-8-4-2-5-9-18)31-24(26-17)27-13-12-20(14-21(27)28)30-16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3,(H,25,29).
What are the key properties of N-benzyl-4-methyl-2-(2-oxo-4-phenylmethoxy-1-pyridinyl)-1,3-thiazole-5-carboxamide?
N-benzyl-4-methyl-2-(2-oxo-4-phenylmethoxy-1-pyridinyl)-1,3-thiazole-5-carboxamide has a molecular weight of 431.52 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-2-(2-oxo-4-phenylmethoxy-1-pyridinyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24983658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).