5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,3-thiazole-2-sulfinamide

C23H18N6OS2 — CID 126518365

IUPAC5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,3-thiazole-2-sulfinamide
SMILESNS(=O)c1ncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)s1
InChIInChI=1S/C23H18N6OS2/c24-32(30)23-27-14-19(31-23)21-28-18-11-6-10-17(15-7-2-1-3-8-15)20(18)22(29-21)26-13-16-9-4-5-12-25-16/h1-12,14H,13,24H2,(H,26,28,29)
InChIKeyJLVQOTPYASPRBE-UHFFFAOYSA-N
MW458.57 g/mol
LogP4.41
Rot. Bonds6

About 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,3-thiazole-2-sulfinamide

5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,3-thiazole-2-sulfinamide (PubChem CID 126518365) has the molecular formula C23H18N6OS2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,3-thiazole-2-sulfinamide.

Molecular Properties

Compound Name5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,3-thiazole-2-sulfinamide
PubChem CID126518365
Molecular FormulaC23H18N6OS2
Molecular Weight458.57 g/mol
Exact Mass458.10
IUPAC Name5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,3-thiazole-2-sulfinamide
SMILESNS(=O)c1ncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)s1
InChIInChI=1S/C23H18N6OS2/c24-32(30)23-27-14-19(31-23)21-28-18-11-6-10-17(15-7-2-1-3-8-15)20(18)22(29-21)26-13-16-9-4-5-12-25-16/h1-12,14H,13,24H2,(H,26,28,29)
InChIKeyJLVQOTPYASPRBE-UHFFFAOYSA-N
XLogP4.41
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrimidine-2-carboxamide
CID 51030922
N-methyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyridine-3-sulfinamide
CID 139377274
2-(2-ethynyl-3-pyridinyl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 122643344
5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyridine-3-carbohydrazide
CID 67055923
6-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrazine-2-sulfonamide
CID 51029627
5-phenyl-4-(pyridin-2-ylmethylamino)quinazoline-2-carbaldehyde
CID 86670619
2-[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]propanamide
CID 51030081
2-nitro-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 151099303
2-(1,1-dioxo-2H-pyrido[2,3-e][1,2,4]thiadiazin-2-ium-7-yl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 163978032
2-ethynyl-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;5-phenyl-N-(pyridin-2-ylmethyl)-2-(2H-triazol-4-yl)quinazolin-4-amine
CID 157079210
2-[5-(aminomethyl)-3-pyridinyl]-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;N-[[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methyl]methanesulfonamide
CID 159681048
5-phenyl-2-[(E)-prop-1-enyl]-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 126518660

Frequently Asked Questions

What is the IUPAC name of 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,3-thiazole-2-sulfinamide?
The IUPAC name of 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,3-thiazole-2-sulfinamide (CID 126518365) is 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,3-thiazole-2-sulfinamide.
What is the SMILES notation for 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,3-thiazole-2-sulfinamide?
The canonical SMILES for 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,3-thiazole-2-sulfinamide is NS(=O)c1ncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)s1.
What is the InChIKey of 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,3-thiazole-2-sulfinamide?
The InChIKey is JLVQOTPYASPRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6OS2/c24-32(30)23-27-14-19(31-23)21-28-18-11-6-10-17(15-7-2-1-3-8-15)20(18)22(29-21)26-13-16-9-4-5-12-25-16/h1-12,14H,13,24H2,(H,26,28,29).
What are the key properties of 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,3-thiazole-2-sulfinamide?
5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,3-thiazole-2-sulfinamide has a molecular weight of 458.57 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,3-thiazole-2-sulfinamide is sourced from PubChem (CID 126518365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).