4-cyclopropylsulfonyl-5-N-(1,2-dimethylpiperidin-4-yl)-1,2-thiazole-3,5-diamine

C13H22N4O2S2 — CID 103349705

IUPAC4-cyclopropylsulfonyl-5-N-(1,2-dimethylpiperidin-4-yl)-1,2-thiazole-3,5-diamine
SMILESCC1CC(Nc2snc(N)c2S(=O)(=O)C2CC2)CCN1C
InChIInChI=1S/C13H22N4O2S2/c1-8-7-9(5-6-17(8)2)15-13-11(12(14)16-20-13)21(18,19)10-3-4-10/h8-10,15H,3-7H2,1-2H3,(H2,14,16)
InChIKeyZMYXJGUOMPYUOJ-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.56
Rot. Bonds4

About 4-cyclopropylsulfonyl-5-N-(1,2-dimethylpiperidin-4-yl)-1,2-thiazole-3,5-diamine

4-cyclopropylsulfonyl-5-N-(1,2-dimethylpiperidin-4-yl)-1,2-thiazole-3,5-diamine (PubChem CID 103349705) has the molecular formula C13H22N4O2S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-5-N-(1,2-dimethylpiperidin-4-yl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-5-N-(1,2-dimethylpiperidin-4-yl)-1,2-thiazole-3,5-diamine
PubChem CID103349705
Molecular FormulaC13H22N4O2S2
Molecular Weight330.48 g/mol
Exact Mass330.12
IUPAC Name4-cyclopropylsulfonyl-5-N-(1,2-dimethylpiperidin-4-yl)-1,2-thiazole-3,5-diamine
SMILESCC1CC(Nc2snc(N)c2S(=O)(=O)C2CC2)CCN1C
InChIInChI=1S/C13H22N4O2S2/c1-8-7-9(5-6-17(8)2)15-13-11(12(14)16-20-13)21(18,19)10-3-4-10/h8-10,15H,3-7H2,1-2H3,(H2,14,16)
InChIKeyZMYXJGUOMPYUOJ-UHFFFAOYSA-N
XLogP1.56
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-cyclopropylsulfonyl-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine
CID 103349737
4-ethylsulfonyl-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine
CID 103364972
4-propylsulfonyl-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine
CID 103364980
4-cyclopropylsulfonyl-5-N-(4,4,4-trifluorobutan-2-yl)-1,2-thiazole-3,5-diamine
CID 105942291
4-propylsulfonyl-5-N-(4,4,4-trifluorobutan-2-yl)-1,2-thiazole-3,5-diamine
CID 105942302
4-cyclopropylsulfonyl-5-N-(3-methylsulfonylpropyl)-1,2-thiazole-3,5-diamine
CID 103348843
4-cyclopropylsulfonyl-5-N-[2-(dimethylamino)propyl]-1,2-thiazole-3,5-diamine
CID 103348849
4-cyclopropylsulfonyl-5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine
CID 103348853
4-cyclopropylsulfonyl-5-N-(1-ethylpiperidin-4-yl)-1,2-thiazole-3,5-diamine
CID 103348861
4-cyclopropylsulfonyl-5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine
CID 103348863
4-cyclopropylsulfonyl-5-N-(1-methylpiperidin-3-yl)-1,2-thiazole-3,5-diamine
CID 103348869
4-cyclopropylsulfonyl-5-N-(1-methylpyrrolidin-3-yl)-1,2-thiazole-3,5-diamine
CID 103348891

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonyl-5-N-(1,2-dimethylpiperidin-4-yl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropylsulfonyl-5-N-(1,2-dimethylpiperidin-4-yl)-1,2-thiazole-3,5-diamine (CID 103349705) is 4-cyclopropylsulfonyl-5-N-(1,2-dimethylpiperidin-4-yl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropylsulfonyl-5-N-(1,2-dimethylpiperidin-4-yl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropylsulfonyl-5-N-(1,2-dimethylpiperidin-4-yl)-1,2-thiazole-3,5-diamine is CC1CC(Nc2snc(N)c2S(=O)(=O)C2CC2)CCN1C.
What is the InChIKey of 4-cyclopropylsulfonyl-5-N-(1,2-dimethylpiperidin-4-yl)-1,2-thiazole-3,5-diamine?
The InChIKey is ZMYXJGUOMPYUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S2/c1-8-7-9(5-6-17(8)2)15-13-11(12(14)16-20-13)21(18,19)10-3-4-10/h8-10,15H,3-7H2,1-2H3,(H2,14,16).
What are the key properties of 4-cyclopropylsulfonyl-5-N-(1,2-dimethylpiperidin-4-yl)-1,2-thiazole-3,5-diamine?
4-cyclopropylsulfonyl-5-N-(1,2-dimethylpiperidin-4-yl)-1,2-thiazole-3,5-diamine has a molecular weight of 330.48 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-5-N-(1,2-dimethylpiperidin-4-yl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103349705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).