5-[2-(methanesulfonamido)ethylamino]-3-methyl-1,2-thiazole-4-carboxylic acid

C8H13N3O4S2 — CID 79402056

IUPAC5-[2-(methanesulfonamido)ethylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NCCNS(C)(=O)=O)c1C(=O)O
InChIInChI=1S/C8H13N3O4S2/c1-5-6(8(12)13)7(16-11-5)9-3-4-10-17(2,14)15/h9-10H,3-4H2,1-2H3,(H,12,13)
InChIKeySWLTYNUCAZLXJP-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.11
Rot. Bonds6

About 5-[2-(methanesulfonamido)ethylamino]-3-methyl-1,2-thiazole-4-carboxylic acid

5-[2-(methanesulfonamido)ethylamino]-3-methyl-1,2-thiazole-4-carboxylic acid (PubChem CID 79402056) has the molecular formula C8H13N3O4S2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-[2-(methanesulfonamido)ethylamino]-3-methyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[2-(methanesulfonamido)ethylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
PubChem CID79402056
Molecular FormulaC8H13N3O4S2
Molecular Weight279.34 g/mol
Exact Mass279.03
IUPAC Name5-[2-(methanesulfonamido)ethylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NCCNS(C)(=O)=O)c1C(=O)O
InChIInChI=1S/C8H13N3O4S2/c1-5-6(8(12)13)7(16-11-5)9-3-4-10-17(2,14)15/h9-10H,3-4H2,1-2H3,(H,12,13)
InChIKeySWLTYNUCAZLXJP-UHFFFAOYSA-N
XLogP0.11
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(methanesulfonamido)ethylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-[2-(methanesulfonamido)ethylamino]-3-methyl-1,2-thiazole-4-carboxylic acid (CID 79402056) is 5-[2-(methanesulfonamido)ethylamino]-3-methyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[2-(methanesulfonamido)ethylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[2-(methanesulfonamido)ethylamino]-3-methyl-1,2-thiazole-4-carboxylic acid is Cc1nsc(NCCNS(C)(=O)=O)c1C(=O)O.
What is the InChIKey of 5-[2-(methanesulfonamido)ethylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is SWLTYNUCAZLXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4S2/c1-5-6(8(12)13)7(16-11-5)9-3-4-10-17(2,14)15/h9-10H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 5-[2-(methanesulfonamido)ethylamino]-3-methyl-1,2-thiazole-4-carboxylic acid?
5-[2-(methanesulfonamido)ethylamino]-3-methyl-1,2-thiazole-4-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methanesulfonamido)ethylamino]-3-methyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 79402056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).