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

C10H17N3O2S3 — CID 103349793

IUPAC4-cyclopropylsulfonyl-5-N-(2-methylsulfanylpropyl)-1,2-thiazole-3,5-diamine
SMILESCSC(C)CNc1snc(N)c1S(=O)(=O)C1CC1
InChIInChI=1S/C10H17N3O2S3/c1-6(16-2)5-12-10-8(9(11)13-17-10)18(14,15)7-3-4-7/h6-7,12H,3-5H2,1-2H3,(H2,11,13)
InChIKeyJAAZBINUBDYGHS-UHFFFAOYSA-N
MW307.47 g/mol
LogP1.82
Rot. Bonds6

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

4-cyclopropylsulfonyl-5-N-(2-methylsulfanylpropyl)-1,2-thiazole-3,5-diamine (PubChem CID 103349793) has the molecular formula C10H17N3O2S3 and a molecular weight of 307.47 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-5-N-(2-methylsulfanylpropyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-5-N-(2-methylsulfanylpropyl)-1,2-thiazole-3,5-diamine
PubChem CID103349793
Molecular FormulaC10H17N3O2S3
Molecular Weight307.47 g/mol
Exact Mass307.05
IUPAC Name4-cyclopropylsulfonyl-5-N-(2-methylsulfanylpropyl)-1,2-thiazole-3,5-diamine
SMILESCSC(C)CNc1snc(N)c1S(=O)(=O)C1CC1
InChIInChI=1S/C10H17N3O2S3/c1-6(16-2)5-12-10-8(9(11)13-17-10)18(14,15)7-3-4-7/h6-7,12H,3-5H2,1-2H3,(H2,11,13)
InChIKeyJAAZBINUBDYGHS-UHFFFAOYSA-N
XLogP1.82
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.47
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonyl-5-N-(2-methylsulfanylpropyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropylsulfonyl-5-N-(2-methylsulfanylpropyl)-1,2-thiazole-3,5-diamine (CID 103349793) is 4-cyclopropylsulfonyl-5-N-(2-methylsulfanylpropyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropylsulfonyl-5-N-(2-methylsulfanylpropyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropylsulfonyl-5-N-(2-methylsulfanylpropyl)-1,2-thiazole-3,5-diamine is CSC(C)CNc1snc(N)c1S(=O)(=O)C1CC1.
What is the InChIKey of 4-cyclopropylsulfonyl-5-N-(2-methylsulfanylpropyl)-1,2-thiazole-3,5-diamine?
The InChIKey is JAAZBINUBDYGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S3/c1-6(16-2)5-12-10-8(9(11)13-17-10)18(14,15)7-3-4-7/h6-7,12H,3-5H2,1-2H3,(H2,11,13).
What are the key properties of 4-cyclopropylsulfonyl-5-N-(2-methylsulfanylpropyl)-1,2-thiazole-3,5-diamine?
4-cyclopropylsulfonyl-5-N-(2-methylsulfanylpropyl)-1,2-thiazole-3,5-diamine has a molecular weight of 307.47 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-5-N-(2-methylsulfanylpropyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103349793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).