2-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methyl-1,3-thiazole-5-sulfonamide

C9H10ClN5O2S2 — CID 114387374

IUPAC2-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nnc(NS(=O)(=O)c2sc(Cl)nc2C)nc1C
InChIInChI=1S/C9H10ClN5O2S2/c1-4-5(2)13-14-9(12-4)15-19(16,17)7-6(3)11-8(10)18-7/h1-3H3,(H,12,14,15)
InChIKeyPGLNFZKJTYSWQI-UHFFFAOYSA-N
MW319.80 g/mol
LogP1.71
Rot. Bonds3

About 2-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methyl-1,3-thiazole-5-sulfonamide

2-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 114387374) has the molecular formula C9H10ClN5O2S2 and a molecular weight of 319.80 g/mol. Its IUPAC name is 2-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID114387374
Molecular FormulaC9H10ClN5O2S2
Molecular Weight319.80 g/mol
Exact Mass319.00
IUPAC Name2-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nnc(NS(=O)(=O)c2sc(Cl)nc2C)nc1C
InChIInChI=1S/C9H10ClN5O2S2/c1-4-5(2)13-14-9(12-4)15-19(16,17)7-6(3)11-8(10)18-7/h1-3H3,(H,12,14,15)
InChIKeyPGLNFZKJTYSWQI-UHFFFAOYSA-N
XLogP1.71
TPSA97.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.80
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methyl-1,3-thiazole-5-sulfonamide with MolForge

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Related Compounds

2-chloro-N-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 61053536
2-chloro-N-(2,6-dichloro-3-methylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide
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2-chloro-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-sulfonamide
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3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]-2-hydroxypropanamide
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2-chloro-4-methyl-N-(4-methylpentan-2-yl)-1,3-thiazole-5-sulfonamide
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2-chloro-4-methyl-N-(2-methylsulfanylethyl)-1,3-thiazole-5-sulfonamide
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2-chloro-4-methyl-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-sulfonamide
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N-(5-bromo-2-chlorophenyl)-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide
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2-chloro-4-methyl-N-(3-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide
CID 55233131
2-chloro-N-(4-hydroxy-2,5-dimethylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 106831897
2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]ethyl carbamate
CID 83210333
2-chloro-4-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methyl-1,3-thiazole-5-sulfonamide (CID 114387374) is 2-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nnc(NS(=O)(=O)c2sc(Cl)nc2C)nc1C.
What is the InChIKey of 2-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is PGLNFZKJTYSWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5O2S2/c1-4-5(2)13-14-9(12-4)15-19(16,17)7-6(3)11-8(10)18-7/h1-3H3,(H,12,14,15).
What are the key properties of 2-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 319.80 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 114387374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).