(2S)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide

C24H26N6O4S2 — CID 146989296

IUPAC(2S)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
SMILESCNC(=O)[C@@H](C)Cn1cnc2ccc(-c3cnc(C)c(NS(=O)(=O)c4sc(C)nc4C)c3)cc2c1=O
InChIInChI=1S/C24H26N6O4S2/c1-13(22(31)25-5)11-30-12-27-20-7-6-17(8-19(20)23(30)32)18-9-21(14(2)26-10-18)29-36(33,34)24-15(3)28-16(4)35-24/h6-10,12-13,29H,11H2,1-5H3,(H,25,31)/t13-/m0/s1
InChIKeyAPWLEZIVSFOYJB-ZDUSSCGKSA-N
MW526.64 g/mol
LogP3.02
Rot. Bonds7

About (2S)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide

(2S)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide (PubChem CID 146989296) has the molecular formula C24H26N6O4S2 and a molecular weight of 526.64 g/mol. Its IUPAC name is (2S)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name(2S)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
PubChem CID146989296
Molecular FormulaC24H26N6O4S2
Molecular Weight526.64 g/mol
Exact Mass526.15
IUPAC Name(2S)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
SMILESCNC(=O)[C@@H](C)Cn1cnc2ccc(-c3cnc(C)c(NS(=O)(=O)c4sc(C)nc4C)c3)cc2c1=O
InChIInChI=1S/C24H26N6O4S2/c1-13(22(31)25-5)11-30-12-27-20-7-6-17(8-19(20)23(30)32)18-9-21(14(2)26-10-18)29-36(33,34)24-15(3)28-16(4)35-24/h6-10,12-13,29H,11H2,1-5H3,(H,25,31)/t13-/m0/s1
InChIKeyAPWLEZIVSFOYJB-ZDUSSCGKSA-N
XLogP3.02
TPSA135.94 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.64
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (2S)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide with MolForge

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Related Compounds

2,4-dimethyl-N-[2-methyl-5-[3-(2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl)-4-oxoquinazolin-6-yl]-3-pyridinyl]-1,3-thiazole-5-sulfonamide
CID 148866211
(2R)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
CID 157124057
2-methyl-3-[6-[6-methyl-5-[(3-methylthiophen-2-yl)sulfonylamino]-3-pyridinyl]-4-oxoquinazolin-3-yl]propanamide
CID 153139481
(2R)-3-[6-[5-[(4-chlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
CID 152962309
(2S)-3-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
CID 152946077
(2R)-3-[6-[5-[(5-fluoro-2-methylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
CID 147547884
3-[6-[5-[(2,6-dichlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
CID 146867894
(2S)-3-[6-[5-[(3,4-dichlorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
CID 152999621
3-[6-[5-[(2,3-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
CID 153048357
3-[6-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
CID 147417886
(2R)-3-[6-[5-[(2-chloro-4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
CID 147330112
(2S)-3-[6-[5-[(3-chloro-4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
CID 148912159

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?
The IUPAC name of (2S)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide (CID 146989296) is (2S)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide.
What is the SMILES notation for (2S)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?
The canonical SMILES for (2S)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide is CNC(=O)[C@@H](C)Cn1cnc2ccc(-c3cnc(C)c(NS(=O)(=O)c4sc(C)nc4C)c3)cc2c1=O.
What is the InChIKey of (2S)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?
The InChIKey is APWLEZIVSFOYJB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C24H26N6O4S2/c1-13(22(31)25-5)11-30-12-27-20-7-6-17(8-19(20)23(30)32)18-9-21(14(2)26-10-18)29-36(33,34)24-15(3)28-16(4)35-24/h6-10,12-13,29H,11H2,1-5H3,(H,25,31)/t13-/m0/s1.
What are the key properties of (2S)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?
(2S)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide has a molecular weight of 526.64 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-methyl-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide is sourced from PubChem (CID 146989296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).