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

C20H18N4O3S2 — CID 60586002

IUPACN-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3nc(S(C)(=O)=O)n4ccccc34)n2)c(C)c1
InChIInChI=1S/C20H18N4O3S2/c1-12-7-8-14(13(2)10-12)15-11-28-19(21-15)23-18(25)17-16-6-4-5-9-24(16)20(22-17)29(3,26)27/h4-11H,1-3H3,(H,21,23,25)
InChIKeyVVTILPMDTKSVHL-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.73
Rot. Bonds4

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

N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 60586002) has the molecular formula C20H18N4O3S2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID60586002
Molecular FormulaC20H18N4O3S2
Molecular Weight426.52 g/mol
Exact Mass426.08
IUPAC NameN-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3nc(S(C)(=O)=O)n4ccccc34)n2)c(C)c1
InChIInChI=1S/C20H18N4O3S2/c1-12-7-8-14(13(2)10-12)15-11-28-19(21-15)23-18(25)17-16-6-4-5-9-24(16)20(22-17)29(3,26)27/h4-11H,1-3H3,(H,21,23,25)
InChIKeyVVTILPMDTKSVHL-UHFFFAOYSA-N
XLogP3.73
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
CID 60585999
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 25259755
2,6-dichloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4517277
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 16952106
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 35875919
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfonylbenzamide
CID 18587131
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
CID 3627689
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-ethoxybenzamide
CID 1220261
2-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 903690
3-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 1358970
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
CID 112762053
1-amino-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 119685811

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide (CID 60586002) is N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide is Cc1ccc(-c2csc(NC(=O)c3nc(S(C)(=O)=O)n4ccccc34)n2)c(C)c1.
What is the InChIKey of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is VVTILPMDTKSVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S2/c1-12-7-8-14(13(2)10-12)15-11-28-19(21-15)23-18(25)17-16-6-4-5-9-24(16)20(22-17)29(3,26)27/h4-11H,1-3H3,(H,21,23,25).
What are the key properties of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide?
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 60586002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).