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

C10H14F3N3O2S2 — CID 103349466

IUPAC4-cyclopropylsulfonyl-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
SMILESCN(CCC(F)(F)F)c1snc(N)c1S(=O)(=O)C1CC1
InChIInChI=1S/C10H14F3N3O2S2/c1-16(5-4-10(11,12)13)9-7(8(14)15-19-9)20(17,18)6-2-3-6/h6H,2-5H2,1H3,(H2,14,15)
InChIKeyWXMPGQFQGXGPQY-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.05
Rot. Bonds5

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

4-cyclopropylsulfonyl-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine (PubChem CID 103349466) has the molecular formula C10H14F3N3O2S2 and a molecular weight of 329.37 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
PubChem CID103349466
Molecular FormulaC10H14F3N3O2S2
Molecular Weight329.37 g/mol
Exact Mass329.05
IUPAC Name4-cyclopropylsulfonyl-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
SMILESCN(CCC(F)(F)F)c1snc(N)c1S(=O)(=O)C1CC1
InChIInChI=1S/C10H14F3N3O2S2/c1-16(5-4-10(11,12)13)9-7(8(14)15-19-9)20(17,18)6-2-3-6/h6H,2-5H2,1H3,(H2,14,15)
InChIKeyWXMPGQFQGXGPQY-UHFFFAOYSA-N
XLogP2.05
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonyl-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropylsulfonyl-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine (CID 103349466) is 4-cyclopropylsulfonyl-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropylsulfonyl-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropylsulfonyl-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine is CN(CCC(F)(F)F)c1snc(N)c1S(=O)(=O)C1CC1.
What is the InChIKey of 4-cyclopropylsulfonyl-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine?
The InChIKey is WXMPGQFQGXGPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S2/c1-16(5-4-10(11,12)13)9-7(8(14)15-19-9)20(17,18)6-2-3-6/h6H,2-5H2,1H3,(H2,14,15).
What are the key properties of 4-cyclopropylsulfonyl-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine?
4-cyclopropylsulfonyl-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine has a molecular weight of 329.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103349466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).