N-(3-aminopropyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide

C8H15N3O2S2 — CID 119962087

IUPACN-(3-aminopropyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(C)c(S(=O)(=O)NCCCN)s1
InChIInChI=1S/C8H15N3O2S2/c1-6-8(14-7(2)11-6)15(12,13)10-5-3-4-9/h10H,3-5,9H2,1-2H3
InChIKeyZXIZIJHATNQUAY-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.39
Rot. Bonds5

About N-(3-aminopropyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide

N-(3-aminopropyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide (PubChem CID 119962087) has the molecular formula C8H15N3O2S2 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(3-aminopropyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide
PubChem CID119962087
Molecular FormulaC8H15N3O2S2
Molecular Weight249.36 g/mol
Exact Mass249.06
IUPAC NameN-(3-aminopropyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(C)c(S(=O)(=O)NCCCN)s1
InChIInChI=1S/C8H15N3O2S2/c1-6-8(14-7(2)11-6)15(12,13)10-5-3-4-9/h10H,3-5,9H2,1-2H3
InChIKeyZXIZIJHATNQUAY-UHFFFAOYSA-N
XLogP0.39
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N-(3-aminopropyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide (CID 119962087) is N-(3-aminopropyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide is Cc1nc(C)c(S(=O)(=O)NCCCN)s1.
What is the InChIKey of N-(3-aminopropyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide?
The InChIKey is ZXIZIJHATNQUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S2/c1-6-8(14-7(2)11-6)15(12,13)10-5-3-4-9/h10H,3-5,9H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide?
N-(3-aminopropyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide has a molecular weight of 249.36 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 119962087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).