5-N-(2,3-dimethylcyclobutyl)-1,2-thiazole-3,5-diamine

C9H15N3S — CID 130835395

IUPAC5-N-(2,3-dimethylcyclobutyl)-1,2-thiazole-3,5-diamine
SMILESCC1CC(Nc2cc(N)ns2)C1C
InChIInChI=1S/C9H15N3S/c1-5-3-7(6(5)2)11-9-4-8(10)12-13-9/h4-7,11H,3H2,1-2H3,(H2,10,12)
InChIKeyOTZCLFCVFATDDD-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.18
Rot. Bonds2

About 5-N-(2,3-dimethylcyclobutyl)-1,2-thiazole-3,5-diamine

5-N-(2,3-dimethylcyclobutyl)-1,2-thiazole-3,5-diamine (PubChem CID 130835395) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 5-N-(2,3-dimethylcyclobutyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2,3-dimethylcyclobutyl)-1,2-thiazole-3,5-diamine
PubChem CID130835395
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name5-N-(2,3-dimethylcyclobutyl)-1,2-thiazole-3,5-diamine
SMILESCC1CC(Nc2cc(N)ns2)C1C
InChIInChI=1S/C9H15N3S/c1-5-3-7(6(5)2)11-9-4-8(10)12-13-9/h4-7,11H,3H2,1-2H3,(H2,10,12)
InChIKeyOTZCLFCVFATDDD-UHFFFAOYSA-N
XLogP2.18
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2,3-dimethylcyclobutyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2,3-dimethylcyclobutyl)-1,2-thiazole-3,5-diamine (CID 130835395) is 5-N-(2,3-dimethylcyclobutyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2,3-dimethylcyclobutyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2,3-dimethylcyclobutyl)-1,2-thiazole-3,5-diamine is CC1CC(Nc2cc(N)ns2)C1C.
What is the InChIKey of 5-N-(2,3-dimethylcyclobutyl)-1,2-thiazole-3,5-diamine?
The InChIKey is OTZCLFCVFATDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-5-3-7(6(5)2)11-9-4-8(10)12-13-9/h4-7,11H,3H2,1-2H3,(H2,10,12).
What are the key properties of 5-N-(2,3-dimethylcyclobutyl)-1,2-thiazole-3,5-diamine?
5-N-(2,3-dimethylcyclobutyl)-1,2-thiazole-3,5-diamine has a molecular weight of 197.31 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,3-dimethylcyclobutyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 130835395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).