N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide

C20H18N4O3S2 — CID 60585999

IUPACN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCCc1ccc(-c2csc(NC(=O)c3nc(S(C)(=O)=O)n4ccccc34)n2)cc1
InChIInChI=1S/C20H18N4O3S2/c1-3-13-7-9-14(10-8-13)15-12-28-19(21-15)23-18(25)17-16-6-4-5-11-24(16)20(22-17)29(2,26)27/h4-12H,3H2,1-2H3,(H,21,23,25)
InChIKeyCJZBAIYAJQKGKA-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.68
Rot. Bonds5

About N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 60585999) has the molecular formula C20H18N4O3S2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID60585999
Molecular FormulaC20H18N4O3S2
Molecular Weight426.52 g/mol
Exact Mass426.08
IUPAC NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCCc1ccc(-c2csc(NC(=O)c3nc(S(C)(=O)=O)n4ccccc34)n2)cc1
InChIInChI=1S/C20H18N4O3S2/c1-3-13-7-9-14(10-8-13)15-12-28-19(21-15)23-18(25)17-16-6-4-5-11-24(16)20(22-17)29(2,26)27/h4-12H,3H2,1-2H3,(H,21,23,25)
InChIKeyCJZBAIYAJQKGKA-UHFFFAOYSA-N
XLogP3.68
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
CID 60586002
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide
CID 7565481
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 3308072
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 5083822
2-(benzenesulfonylmethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 167827153
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1H-pyrrole-2-carboxamide
CID 112795383
2-(4-ethylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 43951133
N-(2-aminoethyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
CID 119384120
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 16799686
1-benzyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide
CID 16549936
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
CID 5212539
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)benzamide
CID 60564262

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide (CID 60585999) is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide is CCc1ccc(-c2csc(NC(=O)c3nc(S(C)(=O)=O)n4ccccc34)n2)cc1.
What is the InChIKey of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is CJZBAIYAJQKGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S2/c1-3-13-7-9-14(10-8-13)15-12-28-19(21-15)23-18(25)17-16-6-4-5-11-24(16)20(22-17)29(2,26)27/h4-12H,3H2,1-2H3,(H,21,23,25).
What are the key properties of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide?
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 60585999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).