2-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide

C7H8ClN5O2S2 — CID 61047274

IUPAC2-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCn1cnnc1CNS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C7H8ClN5O2S2/c1-13-4-10-12-5(13)2-11-17(14,15)6-3-9-7(8)16-6/h3-4,11H,2H2,1H3
InChIKeyLTDAULYLBUZWRX-UHFFFAOYSA-N
MW293.76 g/mol
LogP0.40
Rot. Bonds4

About 2-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide

2-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide (PubChem CID 61047274) has the molecular formula C7H8ClN5O2S2 and a molecular weight of 293.76 g/mol. Its IUPAC name is 2-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide
PubChem CID61047274
Molecular FormulaC7H8ClN5O2S2
Molecular Weight293.76 g/mol
Exact Mass292.98
IUPAC Name2-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCn1cnnc1CNS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C7H8ClN5O2S2/c1-13-4-10-12-5(13)2-11-17(14,15)6-3-9-7(8)16-6/h3-4,11H,2H2,1H3
InChIKeyLTDAULYLBUZWRX-UHFFFAOYSA-N
XLogP0.40
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-5-sulfonamide
CID 63330108
2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 114170773
6-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide
CID 35387073
5-[2-(ethylamino)ethyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106016215
3-methyl-5-[(4-methyl-1,2,4-triazol-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61003991
2-chloro-N-[(4-ethylphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 106899619
4-(methylaminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106016373
5-amino-3-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazole-4-sulfonamide
CID 63980428
4-(ethylaminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106016288
3-bromo-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
CID 61073302
5-(hydroxymethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide
CID 114134426
2-chloro-N-methyl-1,3-thiazole-5-sulfonamide
CID 43455781

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide (CID 61047274) is 2-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide is Cn1cnnc1CNS(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is LTDAULYLBUZWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN5O2S2/c1-13-4-10-12-5(13)2-11-17(14,15)6-3-9-7(8)16-6/h3-4,11H,2H2,1H3.
What are the key properties of 2-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide?
2-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 293.76 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61047274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).