2-N,4-N-dibutyl-1,3-thiazole-2,4-diamine;perchloric acid

C11H22ClN3O4S — CID 71347568

IUPAC2-N,4-N-dibutyl-1,3-thiazole-2,4-diamine;perchloric acid
SMILESCCCCNc1csc(NCCCC)n1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C11H21N3S.ClHO4/c1-3-5-7-12-10-9-15-11(14-10)13-8-6-4-2;2-1(3,4)5/h9,12H,3-8H2,1-2H3,(H,13,14);(H,2,3,4,5)
InChIKeyHCCRLMHNXYZMHG-UHFFFAOYSA-N
MW327.83 g/mol
LogP-0.56
Rot. Bonds8

About 2-N,4-N-dibutyl-1,3-thiazole-2,4-diamine;perchloric acid

2-N,4-N-dibutyl-1,3-thiazole-2,4-diamine;perchloric acid (PubChem CID 71347568) has the molecular formula C11H22ClN3O4S and a molecular weight of 327.83 g/mol. Its IUPAC name is 2-N,4-N-dibutyl-1,3-thiazole-2,4-diamine;perchloric acid.

Molecular Properties

Compound Name2-N,4-N-dibutyl-1,3-thiazole-2,4-diamine;perchloric acid
PubChem CID71347568
Molecular FormulaC11H22ClN3O4S
Molecular Weight327.83 g/mol
Exact Mass327.10
IUPAC Name2-N,4-N-dibutyl-1,3-thiazole-2,4-diamine;perchloric acid
SMILESCCCCNc1csc(NCCCC)n1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C11H21N3S.ClHO4/c1-3-5-7-12-10-9-15-11(14-10)13-8-6-4-2;2-1(3,4)5/h9,12H,3-8H2,1-2H3,(H,13,14);(H,2,3,4,5)
InChIKeyHCCRLMHNXYZMHG-UHFFFAOYSA-N
XLogP-0.56
TPSA126.36 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.83
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-N,4-N-dibutyl-1,3-thiazole-2,4-diamine;perchloric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dibutyl-1,3-thiazole-2,4-diamine;perchloric acid?
The IUPAC name of 2-N,4-N-dibutyl-1,3-thiazole-2,4-diamine;perchloric acid (CID 71347568) is 2-N,4-N-dibutyl-1,3-thiazole-2,4-diamine;perchloric acid.
What is the SMILES notation for 2-N,4-N-dibutyl-1,3-thiazole-2,4-diamine;perchloric acid?
The canonical SMILES for 2-N,4-N-dibutyl-1,3-thiazole-2,4-diamine;perchloric acid is CCCCNc1csc(NCCCC)n1.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of 2-N,4-N-dibutyl-1,3-thiazole-2,4-diamine;perchloric acid?
The InChIKey is HCCRLMHNXYZMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S.ClHO4/c1-3-5-7-12-10-9-15-11(14-10)13-8-6-4-2;2-1(3,4)5/h9,12H,3-8H2,1-2H3,(H,13,14);(H,2,3,4,5).
What are the key properties of 2-N,4-N-dibutyl-1,3-thiazole-2,4-diamine;perchloric acid?
2-N,4-N-dibutyl-1,3-thiazole-2,4-diamine;perchloric acid has a molecular weight of 327.83 g/mol, XLogP of -0.56, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dibutyl-1,3-thiazole-2,4-diamine;perchloric acid is sourced from PubChem (CID 71347568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).