N'-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-methylsulfonyl-2H-1,5-naphthyridin-4-yl]methanesulfonohydrazide

C19H20N6O4S3 — CID 123139771

IUPACN'-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-methylsulfonyl-2H-1,5-naphthyridin-4-yl]methanesulfonohydrazide
SMILESCc1nc(-c2cccnc2)sc1-c1ccc2c(n1)C(NNS(C)(=O)=O)=CCN2S(C)(=O)=O
InChIInChI=1S/C19H20N6O4S3/c1-12-18(30-19(21-12)13-5-4-9-20-11-13)15-6-7-16-17(22-15)14(23-24-31(2,26)27)8-10-25(16)32(3,28)29/h4-9,11,23-24H,10H2,1-3H3
InChIKeyBUVTVKBFSFUUGV-UHFFFAOYSA-N
MW492.61 g/mol
LogP1.75
Rot. Bonds6

About N'-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-methylsulfonyl-2H-1,5-naphthyridin-4-yl]methanesulfonohydrazide

N'-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-methylsulfonyl-2H-1,5-naphthyridin-4-yl]methanesulfonohydrazide (PubChem CID 123139771) has the molecular formula C19H20N6O4S3 and a molecular weight of 492.61 g/mol. Its IUPAC name is N'-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-methylsulfonyl-2H-1,5-naphthyridin-4-yl]methanesulfonohydrazide.

Molecular Properties

Compound NameN'-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-methylsulfonyl-2H-1,5-naphthyridin-4-yl]methanesulfonohydrazide
PubChem CID123139771
Molecular FormulaC19H20N6O4S3
Molecular Weight492.61 g/mol
Exact Mass492.07
IUPAC NameN'-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-methylsulfonyl-2H-1,5-naphthyridin-4-yl]methanesulfonohydrazide
SMILESCc1nc(-c2cccnc2)sc1-c1ccc2c(n1)C(NNS(C)(=O)=O)=CCN2S(C)(=O)=O
InChIInChI=1S/C19H20N6O4S3/c1-12-18(30-19(21-12)13-5-4-9-20-11-13)15-6-7-16-17(22-15)14(23-24-31(2,26)27)8-10-25(16)32(3,28)29/h4-9,11,23-24H,10H2,1-3H3
InChIKeyBUVTVKBFSFUUGV-UHFFFAOYSA-N
XLogP1.75
TPSA134.25 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.61
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-ethoxy-6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-methylsulfonyl-2,3-dihydro-1,5-naphthyridin-4-imine
CID 118081561
N-methyl-N-[(E)-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]methanesulfonamide
CID 118081817
(NE)-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-methylsulfonyl-5,6-dihydro-[1,3]oxazolo[5,4-b]pyridin-7-ylidene]hydroxylamine
CID 118081791
N-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine
CID 123211049
N-ethoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-methylsulfonyl-5,6-dihydro-[1,3]oxazolo[5,4-b]pyridin-7-imine
CID 123741490
N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)methanesulfonamide
CID 110665959
methyl N-[[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]carbamate
CID 123621011
4-methoxy-N-[[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]aniline
CID 123932684
4-methyl-5-(2-pyrazin-2-ylpyrimidin-4-yl)-2-pyridin-3-yl-1,3-thiazole
CID 58416167
N,4-dimethyl-2-pyridin-3-yl-1,3-thiazol-5-amine
CID 59580850
3-methyl-6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazolo[5,4-b]pyridine-1-carboxamide
CID 123417106
N-[(E)-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]pyridin-2-amine
CID 118081833

Frequently Asked Questions

What is the IUPAC name of N'-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-methylsulfonyl-2H-1,5-naphthyridin-4-yl]methanesulfonohydrazide?
The IUPAC name of N'-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-methylsulfonyl-2H-1,5-naphthyridin-4-yl]methanesulfonohydrazide (CID 123139771) is N'-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-methylsulfonyl-2H-1,5-naphthyridin-4-yl]methanesulfonohydrazide.
What is the SMILES notation for N'-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-methylsulfonyl-2H-1,5-naphthyridin-4-yl]methanesulfonohydrazide?
The canonical SMILES for N'-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-methylsulfonyl-2H-1,5-naphthyridin-4-yl]methanesulfonohydrazide is Cc1nc(-c2cccnc2)sc1-c1ccc2c(n1)C(NNS(C)(=O)=O)=CCN2S(C)(=O)=O.
What is the InChIKey of N'-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-methylsulfonyl-2H-1,5-naphthyridin-4-yl]methanesulfonohydrazide?
The InChIKey is BUVTVKBFSFUUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O4S3/c1-12-18(30-19(21-12)13-5-4-9-20-11-13)15-6-7-16-17(22-15)14(23-24-31(2,26)27)8-10-25(16)32(3,28)29/h4-9,11,23-24H,10H2,1-3H3.
What are the key properties of N'-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-methylsulfonyl-2H-1,5-naphthyridin-4-yl]methanesulfonohydrazide?
N'-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-methylsulfonyl-2H-1,5-naphthyridin-4-yl]methanesulfonohydrazide has a molecular weight of 492.61 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-methylsulfonyl-2H-1,5-naphthyridin-4-yl]methanesulfonohydrazide is sourced from PubChem (CID 123139771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).