2-chloro-4-methyl-N-(pyridazin-3-ylmethyl)-1,3-thiazole-5-sulfonamide

C9H9ClN4O2S2 — CID 106833703

IUPAC2-chloro-4-methyl-N-(pyridazin-3-ylmethyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NCc1cccnn1
InChIInChI=1S/C9H9ClN4O2S2/c1-6-8(17-9(10)13-6)18(15,16)12-5-7-3-2-4-11-14-7/h2-4,12H,5H2,1H3
InChIKeyGPHKINFTPUYZMN-UHFFFAOYSA-N
MW304.78 g/mol
LogP1.37
Rot. Bonds4

About 2-chloro-4-methyl-N-(pyridazin-3-ylmethyl)-1,3-thiazole-5-sulfonamide

2-chloro-4-methyl-N-(pyridazin-3-ylmethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 106833703) has the molecular formula C9H9ClN4O2S2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(pyridazin-3-ylmethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(pyridazin-3-ylmethyl)-1,3-thiazole-5-sulfonamide
PubChem CID106833703
Molecular FormulaC9H9ClN4O2S2
Molecular Weight304.78 g/mol
Exact Mass303.99
IUPAC Name2-chloro-4-methyl-N-(pyridazin-3-ylmethyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NCc1cccnn1
InChIInChI=1S/C9H9ClN4O2S2/c1-6-8(17-9(10)13-6)18(15,16)12-5-7-3-2-4-11-14-7/h2-4,12H,5H2,1H3
InChIKeyGPHKINFTPUYZMN-UHFFFAOYSA-N
XLogP1.37
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 103721069
2-chloro-N-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 43415395
2-chloro-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-sulfonamide
CID 43456084
5-bromo-2-methyl-N-(pyridazin-3-ylmethyl)thiophene-3-sulfonamide
CID 106833688
N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106833682
2-amino-4,5-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106894665
2-chloro-4-methyl-N-(2-phenylpropyl)-1,3-thiazole-5-sulfonamide
CID 42956033
2-chloro-N-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 62229620
6-chloro-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide
CID 106833700
2-chloro-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 61351400
2-chloro-N-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 61053536
4-(aminomethyl)-5-methyl-N-(pyridazin-3-ylmethyl)-1H-pyrazole-3-sulfonamide
CID 106089524

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(pyridazin-3-ylmethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-4-methyl-N-(pyridazin-3-ylmethyl)-1,3-thiazole-5-sulfonamide (CID 106833703) is 2-chloro-4-methyl-N-(pyridazin-3-ylmethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-4-methyl-N-(pyridazin-3-ylmethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-4-methyl-N-(pyridazin-3-ylmethyl)-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)NCc1cccnn1.
What is the InChIKey of 2-chloro-4-methyl-N-(pyridazin-3-ylmethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is GPHKINFTPUYZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O2S2/c1-6-8(17-9(10)13-6)18(15,16)12-5-7-3-2-4-11-14-7/h2-4,12H,5H2,1H3.
What are the key properties of 2-chloro-4-methyl-N-(pyridazin-3-ylmethyl)-1,3-thiazole-5-sulfonamide?
2-chloro-4-methyl-N-(pyridazin-3-ylmethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 304.78 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-(pyridazin-3-ylmethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 106833703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).