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

C10H16F3N3O2S2 — CID 103363226

IUPAC5-N-methyl-4-propylsulfonyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
SMILESCCCS(=O)(=O)c1c(N)nsc1N(C)CCC(F)(F)F
InChIInChI=1S/C10H16F3N3O2S2/c1-3-6-20(17,18)7-8(14)15-19-9(7)16(2)5-4-10(11,12)13/h3-6H2,1-2H3,(H2,14,15)
InChIKeyAGLVMXNSNUUWHM-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.30
Rot. Bonds6

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

5-N-methyl-4-propylsulfonyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine (PubChem CID 103363226) has the molecular formula C10H16F3N3O2S2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 5-N-methyl-4-propylsulfonyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-methyl-4-propylsulfonyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
PubChem CID103363226
Molecular FormulaC10H16F3N3O2S2
Molecular Weight331.39 g/mol
Exact Mass331.06
IUPAC Name5-N-methyl-4-propylsulfonyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
SMILESCCCS(=O)(=O)c1c(N)nsc1N(C)CCC(F)(F)F
InChIInChI=1S/C10H16F3N3O2S2/c1-3-6-20(17,18)7-8(14)15-19-9(7)16(2)5-4-10(11,12)13/h3-6H2,1-2H3,(H2,14,15)
InChIKeyAGLVMXNSNUUWHM-UHFFFAOYSA-N
XLogP2.30
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-4-propylsulfonyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-methyl-4-propylsulfonyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine (CID 103363226) is 5-N-methyl-4-propylsulfonyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-methyl-4-propylsulfonyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-methyl-4-propylsulfonyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine is CCCS(=O)(=O)c1c(N)nsc1N(C)CCC(F)(F)F.
What is the InChIKey of 5-N-methyl-4-propylsulfonyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine?
The InChIKey is AGLVMXNSNUUWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2S2/c1-3-6-20(17,18)7-8(14)15-19-9(7)16(2)5-4-10(11,12)13/h3-6H2,1-2H3,(H2,14,15).
What are the key properties of 5-N-methyl-4-propylsulfonyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine?
5-N-methyl-4-propylsulfonyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine has a molecular weight of 331.39 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-4-propylsulfonyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103363226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).