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

C11H17N3O2S2 — CID 103348951

IUPAC5-N-(2-cyclopropylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCCC2CC2)c1S(=O)(=O)C1CC1
InChIInChI=1S/C11H17N3O2S2/c12-10-9(18(15,16)8-3-4-8)11(17-14-10)13-6-5-7-1-2-7/h7-8,13H,1-6H2,(H2,12,14)
InChIKeyIOTRAKUIQLXBCD-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.87
Rot. Bonds6

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

5-N-(2-cyclopropylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine (PubChem CID 103348951) has the molecular formula C11H17N3O2S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is 5-N-(2-cyclopropylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-cyclopropylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine
PubChem CID103348951
Molecular FormulaC11H17N3O2S2
Molecular Weight287.41 g/mol
Exact Mass287.08
IUPAC Name5-N-(2-cyclopropylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCCC2CC2)c1S(=O)(=O)C1CC1
InChIInChI=1S/C11H17N3O2S2/c12-10-9(18(15,16)8-3-4-8)11(17-14-10)13-6-5-7-1-2-7/h7-8,13H,1-6H2,(H2,12,14)
InChIKeyIOTRAKUIQLXBCD-UHFFFAOYSA-N
XLogP1.87
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
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-(2-cyclopropylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2-cyclopropylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine (CID 103348951) is 5-N-(2-cyclopropylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2-cyclopropylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2-cyclopropylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine is Nc1nsc(NCCC2CC2)c1S(=O)(=O)C1CC1.
What is the InChIKey of 5-N-(2-cyclopropylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine?
The InChIKey is IOTRAKUIQLXBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S2/c12-10-9(18(15,16)8-3-4-8)11(17-14-10)13-6-5-7-1-2-7/h7-8,13H,1-6H2,(H2,12,14).
What are the key properties of 5-N-(2-cyclopropylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine?
5-N-(2-cyclopropylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine has a molecular weight of 287.41 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-cyclopropylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103348951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).