N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-1-methylimidazole-4-sulfonamide

C10H11N5O2S2 — CID 62375469

IUPACN-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ncc(C#CCN)s2)c1
InChIInChI=1S/C10H11N5O2S2/c1-15-6-9(13-7-15)19(16,17)14-10-12-5-8(18-10)3-2-4-11/h5-7H,4,11H2,1H3,(H,12,14)
InChIKeyLDWONQGDODUBHP-UHFFFAOYSA-N
MW297.37 g/mol
LogP-0.01
Rot. Bonds3

About N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-1-methylimidazole-4-sulfonamide

N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-1-methylimidazole-4-sulfonamide (PubChem CID 62375469) has the molecular formula C10H11N5O2S2 and a molecular weight of 297.37 g/mol. Its IUPAC name is N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-1-methylimidazole-4-sulfonamide
PubChem CID62375469
Molecular FormulaC10H11N5O2S2
Molecular Weight297.37 g/mol
Exact Mass297.04
IUPAC NameN-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ncc(C#CCN)s2)c1
InChIInChI=1S/C10H11N5O2S2/c1-15-6-9(13-7-15)19(16,17)14-10-12-5-8(18-10)3-2-4-11/h5-7H,4,11H2,1H3,(H,12,14)
InChIKeyLDWONQGDODUBHP-UHFFFAOYSA-N
XLogP-0.01
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-1-methylimidazole-4-sulfonamide (CID 62375469) is N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2ncc(C#CCN)s2)c1.
What is the InChIKey of N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-1-methylimidazole-4-sulfonamide?
The InChIKey is LDWONQGDODUBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2S2/c1-15-6-9(13-7-15)19(16,17)14-10-12-5-8(18-10)3-2-4-11/h5-7H,4,11H2,1H3,(H,12,14).
What are the key properties of N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-1-methylimidazole-4-sulfonamide?
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-1-methylimidazole-4-sulfonamide has a molecular weight of 297.37 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 62375469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).