5-N-(2,2-dimethylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine

C9H17N3S2 — CID 103359355

IUPAC5-N-(2,2-dimethylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NCC(C)(C)C
InChIInChI=1S/C9H17N3S2/c1-9(2,3)5-11-8-6(13-4)7(10)12-14-8/h11H,5H2,1-4H3,(H2,10,12)
InChIKeyBDMYDAKPTNPEEU-UHFFFAOYSA-N
MW231.39 g/mol
LogP2.91
Rot. Bonds3

About 5-N-(2,2-dimethylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine

5-N-(2,2-dimethylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine (PubChem CID 103359355) has the molecular formula C9H17N3S2 and a molecular weight of 231.39 g/mol. Its IUPAC name is 5-N-(2,2-dimethylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2,2-dimethylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
PubChem CID103359355
Molecular FormulaC9H17N3S2
Molecular Weight231.39 g/mol
Exact Mass231.09
IUPAC Name5-N-(2,2-dimethylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NCC(C)(C)C
InChIInChI=1S/C9H17N3S2/c1-9(2,3)5-11-8-6(13-4)7(10)12-14-8/h11H,5H2,1-4H3,(H2,10,12)
InChIKeyBDMYDAKPTNPEEU-UHFFFAOYSA-N
XLogP2.91
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.39
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-N-(2,2-dimethylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine 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 5-N-(2,2-dimethylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2,2-dimethylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine (CID 103359355) is 5-N-(2,2-dimethylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2,2-dimethylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2,2-dimethylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine is CSc1c(N)nsc1NCC(C)(C)C.
What is the InChIKey of 5-N-(2,2-dimethylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The InChIKey is BDMYDAKPTNPEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S2/c1-9(2,3)5-11-8-6(13-4)7(10)12-14-8/h11H,5H2,1-4H3,(H2,10,12).
What are the key properties of 5-N-(2,2-dimethylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
5-N-(2,2-dimethylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine has a molecular weight of 231.39 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,2-dimethylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).