N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-5-(3-methylsulfonylphenyl)-1,2-oxazole-4-carboxamide

C20H16N4O4S2 — CID 176859247

IUPACN-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-5-(3-methylsulfonylphenyl)-1,2-oxazole-4-carboxamide
SMILESCc1cccc(-c2csc(NC(=O)c3cnoc3-c3cccc(S(C)(=O)=O)c3)n2)n1
InChIInChI=1S/C20H16N4O4S2/c1-12-5-3-8-16(22-12)17-11-29-20(23-17)24-19(25)15-10-21-28-18(15)13-6-4-7-14(9-13)30(2,26)27/h3-11H,1-2H3,(H,23,24,25)
InChIKeyFXULEAZHOPJBFQ-UHFFFAOYSA-N
MW440.51 g/mol
LogP3.82
Rot. Bonds5

About N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-5-(3-methylsulfonylphenyl)-1,2-oxazole-4-carboxamide

N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-5-(3-methylsulfonylphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 176859247) has the molecular formula C20H16N4O4S2 and a molecular weight of 440.51 g/mol. Its IUPAC name is N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-5-(3-methylsulfonylphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-5-(3-methylsulfonylphenyl)-1,2-oxazole-4-carboxamide
PubChem CID176859247
Molecular FormulaC20H16N4O4S2
Molecular Weight440.51 g/mol
Exact Mass440.06
IUPAC NameN-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-5-(3-methylsulfonylphenyl)-1,2-oxazole-4-carboxamide
SMILESCc1cccc(-c2csc(NC(=O)c3cnoc3-c3cccc(S(C)(=O)=O)c3)n2)n1
InChIInChI=1S/C20H16N4O4S2/c1-12-5-3-8-16(22-12)17-11-29-20(23-17)24-19(25)15-10-21-28-18(15)13-6-4-7-14(9-13)30(2,26)27/h3-11H,1-2H3,(H,23,24,25)
InChIKeyFXULEAZHOPJBFQ-UHFFFAOYSA-N
XLogP3.82
TPSA115.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-methyl-4-(5-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-5-(3-methylsulfonylphenyl)-1,2-oxazole-4-carboxamide
CID 176859522
N-[4-(6-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide
CID 176858540
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide
CID 7565614
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide
CID 32623148
2-chloro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide
CID 32623146
2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide
CID 26066333
2-(3-methoxyphenyl)-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 176859049
2-methyl-5-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 26362533
3-methylsulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 7565619
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-2-fluoro-5-methylsulfonylbenzamide
CID 75526136
2-(4-fluorophenyl)-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide
CID 176859934
2-chloro-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
CID 9246487

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-5-(3-methylsulfonylphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-5-(3-methylsulfonylphenyl)-1,2-oxazole-4-carboxamide (CID 176859247) is N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-5-(3-methylsulfonylphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-5-(3-methylsulfonylphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-5-(3-methylsulfonylphenyl)-1,2-oxazole-4-carboxamide is Cc1cccc(-c2csc(NC(=O)c3cnoc3-c3cccc(S(C)(=O)=O)c3)n2)n1.
What is the InChIKey of N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-5-(3-methylsulfonylphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is FXULEAZHOPJBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4S2/c1-12-5-3-8-16(22-12)17-11-29-20(23-17)24-19(25)15-10-21-28-18(15)13-6-4-7-14(9-13)30(2,26)27/h3-11H,1-2H3,(H,23,24,25).
What are the key properties of N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-5-(3-methylsulfonylphenyl)-1,2-oxazole-4-carboxamide?
N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-5-(3-methylsulfonylphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 440.51 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-5-(3-methylsulfonylphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 176859247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).