2-[3-[4-(6-amino-2-pyridinyl)phenyl]-2-oxo-1,3-diazinan-1-yl]-N-cyclopropyl-4-methyl-1,3-thiazole-5-sulfonamide

C22H24N6O3S2 — CID 170974845

IUPAC2-[3-[4-(6-amino-2-pyridinyl)phenyl]-2-oxo-1,3-diazinan-1-yl]-N-cyclopropyl-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N2CCCN(c3ccc(-c4cccc(N)n4)cc3)C2=O)sc1S(=O)(=O)NC1CC1
InChIInChI=1S/C22H24N6O3S2/c1-14-20(33(30,31)26-16-8-9-16)32-21(24-14)28-13-3-12-27(22(28)29)17-10-6-15(7-11-17)18-4-2-5-19(23)25-18/h2,4-7,10-11,16,26H,3,8-9,12-13H2,1H3,(H2,23,25)
InChIKeyHHTFCIFZUZZSGB-UHFFFAOYSA-N
MW484.61 g/mol
LogP3.37
Rot. Bonds6

About 2-[3-[4-(6-amino-2-pyridinyl)phenyl]-2-oxo-1,3-diazinan-1-yl]-N-cyclopropyl-4-methyl-1,3-thiazole-5-sulfonamide

2-[3-[4-(6-amino-2-pyridinyl)phenyl]-2-oxo-1,3-diazinan-1-yl]-N-cyclopropyl-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 170974845) has the molecular formula C22H24N6O3S2 and a molecular weight of 484.61 g/mol. Its IUPAC name is 2-[3-[4-(6-amino-2-pyridinyl)phenyl]-2-oxo-1,3-diazinan-1-yl]-N-cyclopropyl-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-[3-[4-(6-amino-2-pyridinyl)phenyl]-2-oxo-1,3-diazinan-1-yl]-N-cyclopropyl-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID170974845
Molecular FormulaC22H24N6O3S2
Molecular Weight484.61 g/mol
Exact Mass484.14
IUPAC Name2-[3-[4-(6-amino-2-pyridinyl)phenyl]-2-oxo-1,3-diazinan-1-yl]-N-cyclopropyl-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N2CCCN(c3ccc(-c4cccc(N)n4)cc3)C2=O)sc1S(=O)(=O)NC1CC1
InChIInChI=1S/C22H24N6O3S2/c1-14-20(33(30,31)26-16-8-9-16)32-21(24-14)28-13-3-12-27(22(28)29)17-10-6-15(7-11-17)18-4-2-5-19(23)25-18/h2,4-7,10-11,16,26H,3,8-9,12-13H2,1H3,(H2,23,25)
InChIKeyHHTFCIFZUZZSGB-UHFFFAOYSA-N
XLogP3.37
TPSA121.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.61
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(6-amino-2-pyridinyl)phenyl]-2-oxo-1,3-diazinan-1-yl]-N-cyclopropyl-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-[3-[4-(6-amino-2-pyridinyl)phenyl]-2-oxo-1,3-diazinan-1-yl]-N-cyclopropyl-4-methyl-1,3-thiazole-5-sulfonamide (CID 170974845) is 2-[3-[4-(6-amino-2-pyridinyl)phenyl]-2-oxo-1,3-diazinan-1-yl]-N-cyclopropyl-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-[3-[4-(6-amino-2-pyridinyl)phenyl]-2-oxo-1,3-diazinan-1-yl]-N-cyclopropyl-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-[3-[4-(6-amino-2-pyridinyl)phenyl]-2-oxo-1,3-diazinan-1-yl]-N-cyclopropyl-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(N2CCCN(c3ccc(-c4cccc(N)n4)cc3)C2=O)sc1S(=O)(=O)NC1CC1.
What is the InChIKey of 2-[3-[4-(6-amino-2-pyridinyl)phenyl]-2-oxo-1,3-diazinan-1-yl]-N-cyclopropyl-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is HHTFCIFZUZZSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3S2/c1-14-20(33(30,31)26-16-8-9-16)32-21(24-14)28-13-3-12-27(22(28)29)17-10-6-15(7-11-17)18-4-2-5-19(23)25-18/h2,4-7,10-11,16,26H,3,8-9,12-13H2,1H3,(H2,23,25).
What are the key properties of 2-[3-[4-(6-amino-2-pyridinyl)phenyl]-2-oxo-1,3-diazinan-1-yl]-N-cyclopropyl-4-methyl-1,3-thiazole-5-sulfonamide?
2-[3-[4-(6-amino-2-pyridinyl)phenyl]-2-oxo-1,3-diazinan-1-yl]-N-cyclopropyl-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 484.61 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(6-amino-2-pyridinyl)phenyl]-2-oxo-1,3-diazinan-1-yl]-N-cyclopropyl-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 170974845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).