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

C21H24N6O3S2 — CID 170974614

IUPACN,4-dimethyl-2-[3-[4-[6-(methylamino)-2-pyridinyl]phenyl]-2-oxo-1,3-diazinan-1-yl]-1,3-thiazole-5-sulfonamide
SMILESCNc1cccc(-c2ccc(N3CCCN(c4nc(C)c(S(=O)(=O)NC)s4)C3=O)cc2)n1
InChIInChI=1S/C21H24N6O3S2/c1-14-19(32(29,30)23-3)31-20(24-14)27-13-5-12-26(21(27)28)16-10-8-15(9-11-16)17-6-4-7-18(22-2)25-17/h4,6-11,23H,5,12-13H2,1-3H3,(H,22,25)
InChIKeyZDKYHFLUGPUUKH-UHFFFAOYSA-N
MW472.60 g/mol
LogP3.30
Rot. Bonds6

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

N,4-dimethyl-2-[3-[4-[6-(methylamino)-2-pyridinyl]phenyl]-2-oxo-1,3-diazinan-1-yl]-1,3-thiazole-5-sulfonamide (PubChem CID 170974614) has the molecular formula C21H24N6O3S2 and a molecular weight of 472.60 g/mol. Its IUPAC name is N,4-dimethyl-2-[3-[4-[6-(methylamino)-2-pyridinyl]phenyl]-2-oxo-1,3-diazinan-1-yl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-2-[3-[4-[6-(methylamino)-2-pyridinyl]phenyl]-2-oxo-1,3-diazinan-1-yl]-1,3-thiazole-5-sulfonamide
PubChem CID170974614
Molecular FormulaC21H24N6O3S2
Molecular Weight472.60 g/mol
Exact Mass472.14
IUPAC NameN,4-dimethyl-2-[3-[4-[6-(methylamino)-2-pyridinyl]phenyl]-2-oxo-1,3-diazinan-1-yl]-1,3-thiazole-5-sulfonamide
SMILESCNc1cccc(-c2ccc(N3CCCN(c4nc(C)c(S(=O)(=O)NC)s4)C3=O)cc2)n1
InChIInChI=1S/C21H24N6O3S2/c1-14-19(32(29,30)23-3)31-20(24-14)27-13-5-12-26(21(27)28)16-10-8-15(9-11-16)17-6-4-7-18(22-2)25-17/h4,6-11,23H,5,12-13H2,1-3H3,(H,22,25)
InChIKeyZDKYHFLUGPUUKH-UHFFFAOYSA-N
XLogP3.30
TPSA107.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.60
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-[3-[4-[6-(methylamino)-2-pyridinyl]phenyl]-2-oxo-1,3-diazinan-1-yl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of N,4-dimethyl-2-[3-[4-[6-(methylamino)-2-pyridinyl]phenyl]-2-oxo-1,3-diazinan-1-yl]-1,3-thiazole-5-sulfonamide (CID 170974614) is N,4-dimethyl-2-[3-[4-[6-(methylamino)-2-pyridinyl]phenyl]-2-oxo-1,3-diazinan-1-yl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N,4-dimethyl-2-[3-[4-[6-(methylamino)-2-pyridinyl]phenyl]-2-oxo-1,3-diazinan-1-yl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N,4-dimethyl-2-[3-[4-[6-(methylamino)-2-pyridinyl]phenyl]-2-oxo-1,3-diazinan-1-yl]-1,3-thiazole-5-sulfonamide is CNc1cccc(-c2ccc(N3CCCN(c4nc(C)c(S(=O)(=O)NC)s4)C3=O)cc2)n1.
What is the InChIKey of N,4-dimethyl-2-[3-[4-[6-(methylamino)-2-pyridinyl]phenyl]-2-oxo-1,3-diazinan-1-yl]-1,3-thiazole-5-sulfonamide?
The InChIKey is ZDKYHFLUGPUUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3S2/c1-14-19(32(29,30)23-3)31-20(24-14)27-13-5-12-26(21(27)28)16-10-8-15(9-11-16)17-6-4-7-18(22-2)25-17/h4,6-11,23H,5,12-13H2,1-3H3,(H,22,25).
What are the key properties of N,4-dimethyl-2-[3-[4-[6-(methylamino)-2-pyridinyl]phenyl]-2-oxo-1,3-diazinan-1-yl]-1,3-thiazole-5-sulfonamide?
N,4-dimethyl-2-[3-[4-[6-(methylamino)-2-pyridinyl]phenyl]-2-oxo-1,3-diazinan-1-yl]-1,3-thiazole-5-sulfonamide has a molecular weight of 472.60 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-[3-[4-[6-(methylamino)-2-pyridinyl]phenyl]-2-oxo-1,3-diazinan-1-yl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 170974614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).