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

C9H13F2N3O2S2 — CID 103349847

IUPAC4-cyclopropylsulfonyl-5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine
SMILESCN(CC(F)F)c1snc(N)c1S(=O)(=O)C1CC1
InChIInChI=1S/C9H13F2N3O2S2/c1-14(4-6(10)11)9-7(8(12)13-17-9)18(15,16)5-2-3-5/h5-6H,2-4H2,1H3,(H2,12,13)
InChIKeyVJDUMHAMSIUKLO-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.36
Rot. Bonds5

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

4-cyclopropylsulfonyl-5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine (PubChem CID 103349847) has the molecular formula C9H13F2N3O2S2 and a molecular weight of 297.35 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine
PubChem CID103349847
Molecular FormulaC9H13F2N3O2S2
Molecular Weight297.35 g/mol
Exact Mass297.04
IUPAC Name4-cyclopropylsulfonyl-5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine
SMILESCN(CC(F)F)c1snc(N)c1S(=O)(=O)C1CC1
InChIInChI=1S/C9H13F2N3O2S2/c1-14(4-6(10)11)9-7(8(12)13-17-9)18(15,16)5-2-3-5/h5-6H,2-4H2,1H3,(H2,12,13)
InChIKeyVJDUMHAMSIUKLO-UHFFFAOYSA-N
XLogP1.36
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.36
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-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropylsulfonyl-5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine (CID 103349847) is 4-cyclopropylsulfonyl-5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropylsulfonyl-5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropylsulfonyl-5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine is CN(CC(F)F)c1snc(N)c1S(=O)(=O)C1CC1.
What is the InChIKey of 4-cyclopropylsulfonyl-5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine?
The InChIKey is VJDUMHAMSIUKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O2S2/c1-14(4-6(10)11)9-7(8(12)13-17-9)18(15,16)5-2-3-5/h5-6H,2-4H2,1H3,(H2,12,13).
What are the key properties of 4-cyclopropylsulfonyl-5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine?
4-cyclopropylsulfonyl-5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine has a molecular weight of 297.35 g/mol, XLogP of 1.36, 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-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103349847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).