N-(2-aminophenyl)-5-benzylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C20H20N4O3S2 — CID 25231103

IUPACN-(2-aminophenyl)-5-benzylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESNc1ccccc1NC(=O)c1nc2c(s1)CN(S(=O)(=O)Cc1ccccc1)CC2
InChIInChI=1S/C20H20N4O3S2/c21-15-8-4-5-9-16(15)22-19(25)20-23-17-10-11-24(12-18(17)28-20)29(26,27)13-14-6-2-1-3-7-14/h1-9H,10-13,21H2,(H,22,25)
InChIKeyGWXLJGRKJZYZKH-UHFFFAOYSA-N
MW428.54 g/mol
LogP2.87
Rot. Bonds5

About N-(2-aminophenyl)-5-benzylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

N-(2-aminophenyl)-5-benzylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 25231103) has the molecular formula C20H20N4O3S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-(2-aminophenyl)-5-benzylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-5-benzylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID25231103
Molecular FormulaC20H20N4O3S2
Molecular Weight428.54 g/mol
Exact Mass428.10
IUPAC NameN-(2-aminophenyl)-5-benzylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESNc1ccccc1NC(=O)c1nc2c(s1)CN(S(=O)(=O)Cc1ccccc1)CC2
InChIInChI=1S/C20H20N4O3S2/c21-15-8-4-5-9-16(15)22-19(25)20-23-17-10-11-24(12-18(17)28-20)29(26,27)13-14-6-2-1-3-7-14/h1-9H,10-13,21H2,(H,22,25)
InChIKeyGWXLJGRKJZYZKH-UHFFFAOYSA-N
XLogP2.87
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[[2-[(2-aminophenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]-3-methyl-2H-thiophene-2-carboxylic acid
CID 89179129
butyl 2-[(2-aminophenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 66864881
N-(5-benzylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazine-2-carboxamide
CID 90527723
N-(2-aminophenyl)-5-[(Z)-1-chloro-2-nitroethenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 58117026
N-(2-amino-5-methoxyphenyl)-5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 66864913
5-benzylsulfonyl-2-(3,8-diazabicyclo[3.2.1]octan-8-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 170947442
N-(2-aminophenyl)-5-[(Z)-1-[4-(dimethylamino)anilino]-2-nitroethenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 66864090
N-(2-aminophenyl)-5-[N-(3,4-dimethoxyphenyl)-C-(nitromethyl)carbonimidoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 91257443
N-[5-[(3-fluorophenyl)methylsulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
CID 71788005
2-bromo-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 90532446
3-(benzenesulfonyl)-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 90532543
2-phenyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 90532758

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-5-benzylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-5-benzylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 25231103) is N-(2-aminophenyl)-5-benzylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-5-benzylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-5-benzylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is Nc1ccccc1NC(=O)c1nc2c(s1)CN(S(=O)(=O)Cc1ccccc1)CC2.
What is the InChIKey of N-(2-aminophenyl)-5-benzylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is GWXLJGRKJZYZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S2/c21-15-8-4-5-9-16(15)22-19(25)20-23-17-10-11-24(12-18(17)28-20)29(26,27)13-14-6-2-1-3-7-14/h1-9H,10-13,21H2,(H,22,25).
What are the key properties of N-(2-aminophenyl)-5-benzylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-(2-aminophenyl)-5-benzylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-5-benzylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 25231103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).