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

C12H19N3O2S2 — CID 103349781

IUPAC5-N-(2-cyclopropylpropyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCC(CNc1snc(N)c1S(=O)(=O)C1CC1)C1CC1
InChIInChI=1S/C12H19N3O2S2/c1-7(8-2-3-8)6-14-12-10(11(13)15-18-12)19(16,17)9-4-5-9/h7-9,14H,2-6H2,1H3,(H2,13,15)
InChIKeyCFYZDRIZVKOPFV-UHFFFAOYSA-N
MW301.44 g/mol
LogP2.12
Rot. Bonds6

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

5-N-(2-cyclopropylpropyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine (PubChem CID 103349781) has the molecular formula C12H19N3O2S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is 5-N-(2-cyclopropylpropyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-cyclopropylpropyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine
PubChem CID103349781
Molecular FormulaC12H19N3O2S2
Molecular Weight301.44 g/mol
Exact Mass301.09
IUPAC Name5-N-(2-cyclopropylpropyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCC(CNc1snc(N)c1S(=O)(=O)C1CC1)C1CC1
InChIInChI=1S/C12H19N3O2S2/c1-7(8-2-3-8)6-14-12-10(11(13)15-18-12)19(16,17)9-4-5-9/h7-9,14H,2-6H2,1H3,(H2,13,15)
InChIKeyCFYZDRIZVKOPFV-UHFFFAOYSA-N
XLogP2.12
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-cyclopropylpropyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2-cyclopropylpropyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine (CID 103349781) is 5-N-(2-cyclopropylpropyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2-cyclopropylpropyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2-cyclopropylpropyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine is CC(CNc1snc(N)c1S(=O)(=O)C1CC1)C1CC1.
What is the InChIKey of 5-N-(2-cyclopropylpropyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine?
The InChIKey is CFYZDRIZVKOPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S2/c1-7(8-2-3-8)6-14-12-10(11(13)15-18-12)19(16,17)9-4-5-9/h7-9,14H,2-6H2,1H3,(H2,13,15).
What are the key properties of 5-N-(2-cyclopropylpropyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine?
5-N-(2-cyclopropylpropyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine has a molecular weight of 301.44 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-cyclopropylpropyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103349781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).