N,N-dimethyl-7-(3-methylpiperazin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide

C18H22N6O3S2 — CID 67150408

IUPACN,N-dimethyl-7-(3-methylpiperazin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide
SMILESCC1CN(c2ccc3c(=O)c(S(=O)(=O)N(C)C)cn(-c4nccs4)c3n2)CCN1
InChIInChI=1S/C18H22N6O3S2/c1-12-10-23(8-6-19-12)15-5-4-13-16(25)14(29(26,27)22(2)3)11-24(17(13)21-15)18-20-7-9-28-18/h4-5,7,9,11-12,19H,6,8,10H2,1-3H3
InChIKeyUPPVWSHVWACIIM-UHFFFAOYSA-N
MW434.55 g/mol
LogP0.89
Rot. Bonds4

About N,N-dimethyl-7-(3-methylpiperazin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide

N,N-dimethyl-7-(3-methylpiperazin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide (PubChem CID 67150408) has the molecular formula C18H22N6O3S2 and a molecular weight of 434.55 g/mol. Its IUPAC name is N,N-dimethyl-7-(3-methylpiperazin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-7-(3-methylpiperazin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide
PubChem CID67150408
Molecular FormulaC18H22N6O3S2
Molecular Weight434.55 g/mol
Exact Mass434.12
IUPAC NameN,N-dimethyl-7-(3-methylpiperazin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide
SMILESCC1CN(c2ccc3c(=O)c(S(=O)(=O)N(C)C)cn(-c4nccs4)c3n2)CCN1
InChIInChI=1S/C18H22N6O3S2/c1-12-10-23(8-6-19-12)15-5-4-13-16(25)14(29(26,27)22(2)3)11-24(17(13)21-15)18-20-7-9-28-18/h4-5,7,9,11-12,19H,6,8,10H2,1-3H3
InChIKeyUPPVWSHVWACIIM-UHFFFAOYSA-N
XLogP0.89
TPSA100.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.55
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-(3-methylpiperazin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-7-(3-methylpiperazin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide (CID 67150408) is N,N-dimethyl-7-(3-methylpiperazin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-7-(3-methylpiperazin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-7-(3-methylpiperazin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide is CC1CN(c2ccc3c(=O)c(S(=O)(=O)N(C)C)cn(-c4nccs4)c3n2)CCN1.
What is the InChIKey of N,N-dimethyl-7-(3-methylpiperazin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide?
The InChIKey is UPPVWSHVWACIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3S2/c1-12-10-23(8-6-19-12)15-5-4-13-16(25)14(29(26,27)22(2)3)11-24(17(13)21-15)18-20-7-9-28-18/h4-5,7,9,11-12,19H,6,8,10H2,1-3H3.
What are the key properties of N,N-dimethyl-7-(3-methylpiperazin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide?
N,N-dimethyl-7-(3-methylpiperazin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide has a molecular weight of 434.55 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-(3-methylpiperazin-1-yl)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide is sourced from PubChem (CID 67150408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).