5-N-butyl-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine

C10H17N3O2S2 — CID 103349511

IUPAC5-N-butyl-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCCCCNc1snc(N)c1S(=O)(=O)C1CC1
InChIInChI=1S/C10H17N3O2S2/c1-2-3-6-12-10-8(9(11)13-16-10)17(14,15)7-4-5-7/h7,12H,2-6H2,1H3,(H2,11,13)
InChIKeyGHINTYKCKZAYPX-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.87
Rot. Bonds6

About 5-N-butyl-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine

5-N-butyl-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine (PubChem CID 103349511) has the molecular formula C10H17N3O2S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is 5-N-butyl-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-butyl-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine
PubChem CID103349511
Molecular FormulaC10H17N3O2S2
Molecular Weight275.40 g/mol
Exact Mass275.08
IUPAC Name5-N-butyl-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCCCCNc1snc(N)c1S(=O)(=O)C1CC1
InChIInChI=1S/C10H17N3O2S2/c1-2-3-6-12-10-8(9(11)13-16-10)17(14,15)7-4-5-7/h7,12H,2-6H2,1H3,(H2,11,13)
InChIKeyGHINTYKCKZAYPX-UHFFFAOYSA-N
XLogP1.87
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-N-butyl-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-butyl-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine (CID 103349511) is 5-N-butyl-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-butyl-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-butyl-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine is CCCCNc1snc(N)c1S(=O)(=O)C1CC1.
What is the InChIKey of 5-N-butyl-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine?
The InChIKey is GHINTYKCKZAYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S2/c1-2-3-6-12-10-8(9(11)13-16-10)17(14,15)7-4-5-7/h7,12H,2-6H2,1H3,(H2,11,13).
What are the key properties of 5-N-butyl-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine?
5-N-butyl-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine has a molecular weight of 275.40 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-butyl-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103349511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).