5-N-(1-cyclopropylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine

C11H17N3O2S2 — CID 103349594

IUPAC5-N-(1-cyclopropylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCC(Nc1snc(N)c1S(=O)(=O)C1CC1)C1CC1
InChIInChI=1S/C11H17N3O2S2/c1-6(7-2-3-7)13-11-9(10(12)14-17-11)18(15,16)8-4-5-8/h6-8,13H,2-5H2,1H3,(H2,12,14)
InChIKeyHWTZPWGKTMLYMA-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.87
Rot. Bonds5

About 5-N-(1-cyclopropylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine

5-N-(1-cyclopropylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine (PubChem CID 103349594) has the molecular formula C11H17N3O2S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is 5-N-(1-cyclopropylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(1-cyclopropylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine
PubChem CID103349594
Molecular FormulaC11H17N3O2S2
Molecular Weight287.41 g/mol
Exact Mass287.08
IUPAC Name5-N-(1-cyclopropylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCC(Nc1snc(N)c1S(=O)(=O)C1CC1)C1CC1
InChIInChI=1S/C11H17N3O2S2/c1-6(7-2-3-7)13-11-9(10(12)14-17-11)18(15,16)8-4-5-8/h6-8,13H,2-5H2,1H3,(H2,12,14)
InChIKeyHWTZPWGKTMLYMA-UHFFFAOYSA-N
XLogP1.87
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-(1-cyclopropylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(1-cyclopropylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine (CID 103349594) is 5-N-(1-cyclopropylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(1-cyclopropylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(1-cyclopropylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine is CC(Nc1snc(N)c1S(=O)(=O)C1CC1)C1CC1.
What is the InChIKey of 5-N-(1-cyclopropylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine?
The InChIKey is HWTZPWGKTMLYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S2/c1-6(7-2-3-7)13-11-9(10(12)14-17-11)18(15,16)8-4-5-8/h6-8,13H,2-5H2,1H3,(H2,12,14).
What are the key properties of 5-N-(1-cyclopropylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine?
5-N-(1-cyclopropylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine has a molecular weight of 287.41 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1-cyclopropylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103349594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).