4-cyclopropylsulfonyl-5-N-[2-[ethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine

C11H20N4O2S2 — CID 103349126

IUPAC4-cyclopropylsulfonyl-5-N-[2-[ethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine
SMILESCCN(C)CCNc1snc(N)c1S(=O)(=O)C1CC1
InChIInChI=1S/C11H20N4O2S2/c1-3-15(2)7-6-13-11-9(10(12)14-18-11)19(16,17)8-4-5-8/h8,13H,3-7H2,1-2H3,(H2,12,14)
InChIKeyFWMLAMSOCKVSNO-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.02
Rot. Bonds7

About 4-cyclopropylsulfonyl-5-N-[2-[ethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine

4-cyclopropylsulfonyl-5-N-[2-[ethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine (PubChem CID 103349126) has the molecular formula C11H20N4O2S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-5-N-[2-[ethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-5-N-[2-[ethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine
PubChem CID103349126
Molecular FormulaC11H20N4O2S2
Molecular Weight304.44 g/mol
Exact Mass304.10
IUPAC Name4-cyclopropylsulfonyl-5-N-[2-[ethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine
SMILESCCN(C)CCNc1snc(N)c1S(=O)(=O)C1CC1
InChIInChI=1S/C11H20N4O2S2/c1-3-15(2)7-6-13-11-9(10(12)14-18-11)19(16,17)8-4-5-8/h8,13H,3-7H2,1-2H3,(H2,12,14)
InChIKeyFWMLAMSOCKVSNO-UHFFFAOYSA-N
XLogP1.02
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.02
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-[ethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropylsulfonyl-5-N-[2-[ethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine (CID 103349126) is 4-cyclopropylsulfonyl-5-N-[2-[ethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropylsulfonyl-5-N-[2-[ethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropylsulfonyl-5-N-[2-[ethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine is CCN(C)CCNc1snc(N)c1S(=O)(=O)C1CC1.
What is the InChIKey of 4-cyclopropylsulfonyl-5-N-[2-[ethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine?
The InChIKey is FWMLAMSOCKVSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S2/c1-3-15(2)7-6-13-11-9(10(12)14-18-11)19(16,17)8-4-5-8/h8,13H,3-7H2,1-2H3,(H2,12,14).
What are the key properties of 4-cyclopropylsulfonyl-5-N-[2-[ethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine?
4-cyclopropylsulfonyl-5-N-[2-[ethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine has a molecular weight of 304.44 g/mol, XLogP of 1.02, 7 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-[ethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103349126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).