N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

C18H13N5O4S2 — CID 108780600

IUPACN-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESCc1ccc(-c2csc3nc(NS(=O)(=O)c4ccc5[nH]c(=O)oc5c4)nn23)cc1
InChIInChI=1S/C18H13N5O4S2/c1-10-2-4-11(5-3-10)14-9-28-17-20-16(21-23(14)17)22-29(25,26)12-6-7-13-15(8-12)27-18(24)19-13/h2-9H,1H3,(H,19,24)(H,21,22)
InChIKeyHBFHTTCIKHYVRU-UHFFFAOYSA-N
MW427.47 g/mol
LogP3.00
Rot. Bonds4

About N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (PubChem CID 108780600) has the molecular formula C18H13N5O4S2 and a molecular weight of 427.47 g/mol. Its IUPAC name is N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
PubChem CID108780600
Molecular FormulaC18H13N5O4S2
Molecular Weight427.47 g/mol
Exact Mass427.04
IUPAC NameN-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESCc1ccc(-c2csc3nc(NS(=O)(=O)c4ccc5[nH]c(=O)oc5c4)nn23)cc1
InChIInChI=1S/C18H13N5O4S2/c1-10-2-4-11(5-3-10)14-9-28-17-20-16(21-23(14)17)22-29(25,26)12-6-7-13-15(8-12)27-18(24)19-13/h2-9H,1H3,(H,19,24)(H,21,22)
InChIKeyHBFHTTCIKHYVRU-UHFFFAOYSA-N
XLogP3.00
TPSA122.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-methoxy-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide
CID 108780595
2,4-dimethyl-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide
CID 108780603
N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2,4-dimethylbenzenesulfonamide
CID 108780689
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110756975
4-chloro-N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-nitrobenzenesulfonamide
CID 108780686
6-(5-amino-6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-3H-1,3-benzoxazol-2-one
CID 82068607
N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110319637
2,5-dimethoxy-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide
CID 108780802
ethyl 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84563272
N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136782640
2-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-3H-1,3-benzoxazole-6-sulfonamide
CID 108783079
N-(4-aminophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82104270

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (CID 108780600) is N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is Cc1ccc(-c2csc3nc(NS(=O)(=O)c4ccc5[nH]c(=O)oc5c4)nn23)cc1.
What is the InChIKey of N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The InChIKey is HBFHTTCIKHYVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O4S2/c1-10-2-4-11(5-3-10)14-9-28-17-20-16(21-23(14)17)22-29(25,26)12-6-7-13-15(8-12)27-18(24)19-13/h2-9H,1H3,(H,19,24)(H,21,22).
What are the key properties of N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide has a molecular weight of 427.47 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 108780600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).