5-N,5-N-dipropyl-4-propylsulfonyl-1,2-thiazole-3,5-diamine

C12H23N3O2S2 — CID 103362220

IUPAC5-N,5-N-dipropyl-4-propylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCCCN(CCC)c1snc(N)c1S(=O)(=O)CCC
InChIInChI=1S/C12H23N3O2S2/c1-4-7-15(8-5-2)12-10(11(13)14-18-12)19(16,17)9-6-3/h4-9H2,1-3H3,(H2,13,14)
InChIKeyXQNQMYJSUSBIBA-UHFFFAOYSA-N
MW305.47 g/mol
LogP2.54
Rot. Bonds8

About 5-N,5-N-dipropyl-4-propylsulfonyl-1,2-thiazole-3,5-diamine

5-N,5-N-dipropyl-4-propylsulfonyl-1,2-thiazole-3,5-diamine (PubChem CID 103362220) has the molecular formula C12H23N3O2S2 and a molecular weight of 305.47 g/mol. Its IUPAC name is 5-N,5-N-dipropyl-4-propylsulfonyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N,5-N-dipropyl-4-propylsulfonyl-1,2-thiazole-3,5-diamine
PubChem CID103362220
Molecular FormulaC12H23N3O2S2
Molecular Weight305.47 g/mol
Exact Mass305.12
IUPAC Name5-N,5-N-dipropyl-4-propylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCCCN(CCC)c1snc(N)c1S(=O)(=O)CCC
InChIInChI=1S/C12H23N3O2S2/c1-4-7-15(8-5-2)12-10(11(13)14-18-12)19(16,17)9-6-3/h4-9H2,1-3H3,(H2,13,14)
InChIKeyXQNQMYJSUSBIBA-UHFFFAOYSA-N
XLogP2.54
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N,5-N-dipropyl-4-propylsulfonyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N,5-N-dipropyl-4-propylsulfonyl-1,2-thiazole-3,5-diamine (CID 103362220) is 5-N,5-N-dipropyl-4-propylsulfonyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N,5-N-dipropyl-4-propylsulfonyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N,5-N-dipropyl-4-propylsulfonyl-1,2-thiazole-3,5-diamine is CCCN(CCC)c1snc(N)c1S(=O)(=O)CCC.
What is the InChIKey of 5-N,5-N-dipropyl-4-propylsulfonyl-1,2-thiazole-3,5-diamine?
The InChIKey is XQNQMYJSUSBIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S2/c1-4-7-15(8-5-2)12-10(11(13)14-18-12)19(16,17)9-6-3/h4-9H2,1-3H3,(H2,13,14).
What are the key properties of 5-N,5-N-dipropyl-4-propylsulfonyl-1,2-thiazole-3,5-diamine?
5-N,5-N-dipropyl-4-propylsulfonyl-1,2-thiazole-3,5-diamine has a molecular weight of 305.47 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N-dipropyl-4-propylsulfonyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103362220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).