N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]quinoline-8-sulfonamide

C19H16N4O2S2 — CID 121122496

IUPACN-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]quinoline-8-sulfonamide
SMILESCc1nc(-c2cccnc2)sc1CNS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C19H16N4O2S2/c1-13-16(26-19(23-13)15-7-3-9-20-11-15)12-22-27(24,25)17-8-2-5-14-6-4-10-21-18(14)17/h2-11,22H,12H2,1H3
InChIKeyUQGLTPFHXPETDV-UHFFFAOYSA-N
MW396.50 g/mol
LogP3.54
Rot. Bonds5

About N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]quinoline-8-sulfonamide

N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]quinoline-8-sulfonamide (PubChem CID 121122496) has the molecular formula C19H16N4O2S2 and a molecular weight of 396.50 g/mol. Its IUPAC name is N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]quinoline-8-sulfonamide
PubChem CID121122496
Molecular FormulaC19H16N4O2S2
Molecular Weight396.50 g/mol
Exact Mass396.07
IUPAC NameN-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]quinoline-8-sulfonamide
SMILESCc1nc(-c2cccnc2)sc1CNS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C19H16N4O2S2/c1-13-16(26-19(23-13)15-7-3-9-20-11-15)12-22-27(24,25)17-8-2-5-14-6-4-10-21-18(14)17/h2-11,22H,12H2,1H3
InChIKeyUQGLTPFHXPETDV-UHFFFAOYSA-N
XLogP3.54
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 121122475
3,4-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 121122416
5-bromo-2-ethoxy-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 121122443
3,4-dichloro-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 121122441
4-butoxy-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 121122432
2-chloro-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-5-nitrobenzenesulfonamide
CID 121122452
N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 7207713
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylquinoline-8-sulfonamide
CID 121122988
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 62404435
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]quinoline-8-sulfonamide
CID 121137843
1-(4-methylphenyl)-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
CID 110395291
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-4-phenylbenzenesulfonamide
CID 121121722

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]quinoline-8-sulfonamide?
The IUPAC name of N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]quinoline-8-sulfonamide (CID 121122496) is N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]quinoline-8-sulfonamide is Cc1nc(-c2cccnc2)sc1CNS(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]quinoline-8-sulfonamide?
The InChIKey is UQGLTPFHXPETDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S2/c1-13-16(26-19(23-13)15-7-3-9-20-11-15)12-22-27(24,25)17-8-2-5-14-6-4-10-21-18(14)17/h2-11,22H,12H2,1H3.
What are the key properties of N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]quinoline-8-sulfonamide?
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]quinoline-8-sulfonamide has a molecular weight of 396.50 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]quinoline-8-sulfonamide is sourced from PubChem (CID 121122496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).