4-[(2-ethyl-4-oxo-3H-quinazolin-6-yl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C20H19N5O3S2 — CID 135980493

IUPAC4-[(2-ethyl-4-oxo-3H-quinazolin-6-yl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCc1nc2ccc(CNc3ccc(S(=O)(=O)Nc4nccs4)cc3)cc2c(=O)[nH]1
InChIInChI=1S/C20H19N5O3S2/c1-2-18-23-17-8-3-13(11-16(17)19(26)24-18)12-22-14-4-6-15(7-5-14)30(27,28)25-20-21-9-10-29-20/h3-11,22H,2,12H2,1H3,(H,21,25)(H,23,24,26)
InChIKeyZIIXWZUKRPUSHK-UHFFFAOYSA-N
MW441.54 g/mol
LogP3.35
Rot. Bonds7

About 4-[(2-ethyl-4-oxo-3H-quinazolin-6-yl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[(2-ethyl-4-oxo-3H-quinazolin-6-yl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 135980493) has the molecular formula C20H19N5O3S2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 4-[(2-ethyl-4-oxo-3H-quinazolin-6-yl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-ethyl-4-oxo-3H-quinazolin-6-yl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID135980493
Molecular FormulaC20H19N5O3S2
Molecular Weight441.54 g/mol
Exact Mass441.09
IUPAC Name4-[(2-ethyl-4-oxo-3H-quinazolin-6-yl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCc1nc2ccc(CNc3ccc(S(=O)(=O)Nc4nccs4)cc3)cc2c(=O)[nH]1
InChIInChI=1S/C20H19N5O3S2/c1-2-18-23-17-8-3-13(11-16(17)19(26)24-18)12-22-14-4-6-15(7-5-14)30(27,28)25-20-21-9-10-29-20/h3-11,22H,2,12H2,1H3,(H,21,25)(H,23,24,26)
InChIKeyZIIXWZUKRPUSHK-UHFFFAOYSA-N
XLogP3.35
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[(2-ethyl-4-oxo-3H-quinazolin-6-yl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide with MolForge

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Related Compounds

4-[(2-ethyl-4-oxo-3H-quinazolin-6-yl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 135980496
4-[(4-aminophenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71580375
4-[(2,4-dioxo-1H-pteridin-6-yl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 169451678
4-[(4-oxo-3H-quinazolin-2-yl)methylamino]-N-pyrimidin-2-ylbenzenesulfonamide
CID 155814648
4-(methanesulfonamido)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 653937
4-[(6-ethoxy-2-methylquinolin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 44587237
4-(acridin-9-ylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 10550689
3-amino-4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43256868
4-(2-methylbutan-2-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 166217835
4-[(4-oxochromen-3-yl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 118733952
4-(2-chloroethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 28719509
2-(methylsulfanylmethyl)-6-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1H-pyrimidine-4-carboxamide
CID 136705879

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-4-oxo-3H-quinazolin-6-yl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[(2-ethyl-4-oxo-3H-quinazolin-6-yl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 135980493) is 4-[(2-ethyl-4-oxo-3H-quinazolin-6-yl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(2-ethyl-4-oxo-3H-quinazolin-6-yl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[(2-ethyl-4-oxo-3H-quinazolin-6-yl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is CCc1nc2ccc(CNc3ccc(S(=O)(=O)Nc4nccs4)cc3)cc2c(=O)[nH]1.
What is the InChIKey of 4-[(2-ethyl-4-oxo-3H-quinazolin-6-yl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is ZIIXWZUKRPUSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S2/c1-2-18-23-17-8-3-13(11-16(17)19(26)24-18)12-22-14-4-6-15(7-5-14)30(27,28)25-20-21-9-10-29-20/h3-11,22H,2,12H2,1H3,(H,21,25)(H,23,24,26).
What are the key properties of 4-[(2-ethyl-4-oxo-3H-quinazolin-6-yl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[(2-ethyl-4-oxo-3H-quinazolin-6-yl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 441.54 g/mol, XLogP of 3.35, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-4-oxo-3H-quinazolin-6-yl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 135980493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).