6-[[2-(methanesulfonamido)-1,3-thiazole-4-carbonyl]amino]hexanoic acid

C11H17N3O5S2 — CID 39182547

IUPAC6-[[2-(methanesulfonamido)-1,3-thiazole-4-carbonyl]amino]hexanoic acid
SMILESCS(=O)(=O)Nc1nc(C(=O)NCCCCCC(=O)O)cs1
InChIInChI=1S/C11H17N3O5S2/c1-21(18,19)14-11-13-8(7-20-11)10(17)12-6-4-2-3-5-9(15)16/h7H,2-6H2,1H3,(H,12,17)(H,13,14)(H,15,16)
InChIKeyNZCDUEIONPLUKU-UHFFFAOYSA-N
MW335.41 g/mol
LogP0.89
Rot. Bonds9

About 6-[[2-(methanesulfonamido)-1,3-thiazole-4-carbonyl]amino]hexanoic acid

6-[[2-(methanesulfonamido)-1,3-thiazole-4-carbonyl]amino]hexanoic acid (PubChem CID 39182547) has the molecular formula C11H17N3O5S2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 6-[[2-(methanesulfonamido)-1,3-thiazole-4-carbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[2-(methanesulfonamido)-1,3-thiazole-4-carbonyl]amino]hexanoic acid
PubChem CID39182547
Molecular FormulaC11H17N3O5S2
Molecular Weight335.41 g/mol
Exact Mass335.06
IUPAC Name6-[[2-(methanesulfonamido)-1,3-thiazole-4-carbonyl]amino]hexanoic acid
SMILESCS(=O)(=O)Nc1nc(C(=O)NCCCCCC(=O)O)cs1
InChIInChI=1S/C11H17N3O5S2/c1-21(18,19)14-11-13-8(7-20-11)10(17)12-6-4-2-3-5-9(15)16/h7H,2-6H2,1H3,(H,12,17)(H,13,14)(H,15,16)
InChIKeyNZCDUEIONPLUKU-UHFFFAOYSA-N
XLogP0.89
TPSA125.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 50.89
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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Related Compounds

7-[(2-methyl-1,3-thiazole-4-carbonyl)amino]heptanoic acid
CID 65199802
5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 65199563
6-[(2-tert-butyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid
CID 119220220
6-[(2-benzyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid
CID 119220206
5-[[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 120525274
6-[[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]hexanoic acid
CID 119219951
4-[(2-tert-butyl-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 119171014
8-[(5-methylsulfonylthiophene-3-carbonyl)amino]octanoic acid
CID 120689510
4-[(2-benzamido-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 39182218
2-[[2-(methanesulfonamido)-1,3-thiazole-4-carbonyl]amino]hexanoic acid
CID 82033336
5-[[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 119235215
5-[[2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 119235171

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(methanesulfonamido)-1,3-thiazole-4-carbonyl]amino]hexanoic acid?
The IUPAC name of 6-[[2-(methanesulfonamido)-1,3-thiazole-4-carbonyl]amino]hexanoic acid (CID 39182547) is 6-[[2-(methanesulfonamido)-1,3-thiazole-4-carbonyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[2-(methanesulfonamido)-1,3-thiazole-4-carbonyl]amino]hexanoic acid?
The canonical SMILES for 6-[[2-(methanesulfonamido)-1,3-thiazole-4-carbonyl]amino]hexanoic acid is CS(=O)(=O)Nc1nc(C(=O)NCCCCCC(=O)O)cs1.
What is the InChIKey of 6-[[2-(methanesulfonamido)-1,3-thiazole-4-carbonyl]amino]hexanoic acid?
The InChIKey is NZCDUEIONPLUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5S2/c1-21(18,19)14-11-13-8(7-20-11)10(17)12-6-4-2-3-5-9(15)16/h7H,2-6H2,1H3,(H,12,17)(H,13,14)(H,15,16).
What are the key properties of 6-[[2-(methanesulfonamido)-1,3-thiazole-4-carbonyl]amino]hexanoic acid?
6-[[2-(methanesulfonamido)-1,3-thiazole-4-carbonyl]amino]hexanoic acid has a molecular weight of 335.41 g/mol, XLogP of 0.89, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(methanesulfonamido)-1,3-thiazole-4-carbonyl]amino]hexanoic acid is sourced from PubChem (CID 39182547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).