7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N,N-dimethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide

C19H24N6O3S2 — CID 52919501

IUPAC7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N,N-dimethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide
SMILESC[C@@H]1CN(c2ccc3c(=O)c(S(=O)(=O)N(C)C)cn(-c4nccs4)c3n2)C[C@H](C)N1
InChIInChI=1S/C19H24N6O3S2/c1-12-9-24(10-13(2)21-12)16-6-5-14-17(26)15(30(27,28)23(3)4)11-25(18(14)22-16)19-20-7-8-29-19/h5-8,11-13,21H,9-10H2,1-4H3/t12-,13+
InChIKeyMCIIHPCDQDVAMX-BETUJISGSA-N
MW448.57 g/mol
LogP1.28
Rot. Bonds4

About 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N,N-dimethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide

7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N,N-dimethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide (PubChem CID 52919501) has the molecular formula C19H24N6O3S2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N,N-dimethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide.

Molecular Properties

Compound Name7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N,N-dimethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide
PubChem CID52919501
Molecular FormulaC19H24N6O3S2
Molecular Weight448.57 g/mol
Exact Mass448.14
IUPAC Name7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N,N-dimethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide
SMILESC[C@@H]1CN(c2ccc3c(=O)c(S(=O)(=O)N(C)C)cn(-c4nccs4)c3n2)C[C@H](C)N1
InChIInChI=1S/C19H24N6O3S2/c1-12-9-24(10-13(2)21-12)16-6-5-14-17(26)15(30(27,28)23(3)4)11-25(18(14)22-16)19-20-7-8-29-19/h5-8,11-13,21H,9-10H2,1-4H3/t12-,13+
InChIKeyMCIIHPCDQDVAMX-BETUJISGSA-N
XLogP1.28
TPSA100.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N,N-dimethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N,N-dimethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide?
The IUPAC name of 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N,N-dimethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide (CID 52919501) is 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N,N-dimethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide.
What is the SMILES notation for 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N,N-dimethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide?
The canonical SMILES for 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N,N-dimethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide is C[C@@H]1CN(c2ccc3c(=O)c(S(=O)(=O)N(C)C)cn(-c4nccs4)c3n2)C[C@H](C)N1.
What is the InChIKey of 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N,N-dimethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide?
The InChIKey is MCIIHPCDQDVAMX-BETUJISGSA-N. The full InChI is InChI=1S/C19H24N6O3S2/c1-12-9-24(10-13(2)21-12)16-6-5-14-17(26)15(30(27,28)23(3)4)11-25(18(14)22-16)19-20-7-8-29-19/h5-8,11-13,21H,9-10H2,1-4H3/t12-,13+.
What are the key properties of 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N,N-dimethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide?
7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N,N-dimethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide has a molecular weight of 448.57 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N,N-dimethyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-sulfonamide is sourced from PubChem (CID 52919501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).