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

C12H22N4O3S2 — CID 103349132

IUPAC4-cyclopropylsulfonyl-5-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine
SMILESCOCCN(C)CCNc1snc(N)c1S(=O)(=O)C1CC1
InChIInChI=1S/C12H22N4O3S2/c1-16(7-8-19-2)6-5-14-12-10(11(13)15-20-12)21(17,18)9-3-4-9/h9,14H,3-8H2,1-2H3,(H2,13,15)
InChIKeyXVEQBVAGJFWBMO-UHFFFAOYSA-N
MW334.47 g/mol
LogP0.65
Rot. Bonds9

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

4-cyclopropylsulfonyl-5-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine (PubChem CID 103349132) has the molecular formula C12H22N4O3S2 and a molecular weight of 334.47 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-5-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-5-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine
PubChem CID103349132
Molecular FormulaC12H22N4O3S2
Molecular Weight334.47 g/mol
Exact Mass334.11
IUPAC Name4-cyclopropylsulfonyl-5-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine
SMILESCOCCN(C)CCNc1snc(N)c1S(=O)(=O)C1CC1
InChIInChI=1S/C12H22N4O3S2/c1-16(7-8-19-2)6-5-14-12-10(11(13)15-20-12)21(17,18)9-3-4-9/h9,14H,3-8H2,1-2H3,(H2,13,15)
InChIKeyXVEQBVAGJFWBMO-UHFFFAOYSA-N
XLogP0.65
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonyl-5-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropylsulfonyl-5-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine (CID 103349132) is 4-cyclopropylsulfonyl-5-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropylsulfonyl-5-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropylsulfonyl-5-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine is COCCN(C)CCNc1snc(N)c1S(=O)(=O)C1CC1.
What is the InChIKey of 4-cyclopropylsulfonyl-5-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine?
The InChIKey is XVEQBVAGJFWBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S2/c1-16(7-8-19-2)6-5-14-12-10(11(13)15-20-12)21(17,18)9-3-4-9/h9,14H,3-8H2,1-2H3,(H2,13,15).
What are the key properties of 4-cyclopropylsulfonyl-5-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine?
4-cyclopropylsulfonyl-5-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine has a molecular weight of 334.47 g/mol, XLogP of 0.65, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-5-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103349132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).