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

C9H13N5O2S2 — CID 113337763

IUPACN,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCc1nc(CN(C)S(=O)(=O)c2cnc(C)s2)n[nH]1
InChIInChI=1S/C9H13N5O2S2/c1-6-11-8(13-12-6)5-14(3)18(15,16)9-4-10-7(2)17-9/h4H,5H2,1-3H3,(H,11,12,13)
InChIKeySEJSJDSCEPTILC-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.70
Rot. Bonds4

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

N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide (PubChem CID 113337763) has the molecular formula C9H13N5O2S2 and a molecular weight of 287.37 g/mol. Its IUPAC name is N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide
PubChem CID113337763
Molecular FormulaC9H13N5O2S2
Molecular Weight287.37 g/mol
Exact Mass287.05
IUPAC NameN,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCc1nc(CN(C)S(=O)(=O)c2cnc(C)s2)n[nH]1
InChIInChI=1S/C9H13N5O2S2/c1-6-11-8(13-12-6)5-14(3)18(15,16)9-4-10-7(2)17-9/h4H,5H2,1-3H3,(H,11,12,13)
InChIKeySEJSJDSCEPTILC-UHFFFAOYSA-N
XLogP0.70
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide with MolForge

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Related Compounds

N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide
CID 64512501
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 64511314
2,5-dichloro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide
CID 64511324
2,4,6-trichloro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 64512691
6-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]pyridine-3-carboxylic acid
CID 64512592
3-[[tert-butylsulfamoyl(methyl)amino]methyl]-5-methyl-1H-1,2,4-triazole
CID 114810130
5-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]pyridine-2-carbothioamide
CID 114614521
5-chloro-N-methyl-6-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide
CID 64602108
3-amino-N,5-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 64512724
2-methoxy-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanesulfonamide
CID 64510168
3-fluoro-4-methoxy-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 64510741
2,5-dibromo-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 64511312

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide (CID 113337763) is N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide is Cc1nc(CN(C)S(=O)(=O)c2cnc(C)s2)n[nH]1.
What is the InChIKey of N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is SEJSJDSCEPTILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2S2/c1-6-11-8(13-12-6)5-14(3)18(15,16)9-4-10-7(2)17-9/h4H,5H2,1-3H3,(H,11,12,13).
What are the key properties of N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide?
N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 287.37 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 113337763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).