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

C12H20N4O2S2 — CID 103348869

IUPAC4-cyclopropylsulfonyl-5-N-(1-methylpiperidin-3-yl)-1,2-thiazole-3,5-diamine
SMILESCN1CCCC(Nc2snc(N)c2S(=O)(=O)C2CC2)C1
InChIInChI=1S/C12H20N4O2S2/c1-16-6-2-3-8(7-16)14-12-10(11(13)15-19-12)20(17,18)9-4-5-9/h8-9,14H,2-7H2,1H3,(H2,13,15)
InChIKeyLIGMBPPLXLXRGV-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.17
Rot. Bonds4

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

4-cyclopropylsulfonyl-5-N-(1-methylpiperidin-3-yl)-1,2-thiazole-3,5-diamine (PubChem CID 103348869) has the molecular formula C12H20N4O2S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-5-N-(1-methylpiperidin-3-yl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-5-N-(1-methylpiperidin-3-yl)-1,2-thiazole-3,5-diamine
PubChem CID103348869
Molecular FormulaC12H20N4O2S2
Molecular Weight316.45 g/mol
Exact Mass316.10
IUPAC Name4-cyclopropylsulfonyl-5-N-(1-methylpiperidin-3-yl)-1,2-thiazole-3,5-diamine
SMILESCN1CCCC(Nc2snc(N)c2S(=O)(=O)C2CC2)C1
InChIInChI=1S/C12H20N4O2S2/c1-16-6-2-3-8(7-16)14-12-10(11(13)15-19-12)20(17,18)9-4-5-9/h8-9,14H,2-7H2,1H3,(H2,13,15)
InChIKeyLIGMBPPLXLXRGV-UHFFFAOYSA-N
XLogP1.17
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonyl-5-N-(1-methylpiperidin-3-yl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropylsulfonyl-5-N-(1-methylpiperidin-3-yl)-1,2-thiazole-3,5-diamine (CID 103348869) is 4-cyclopropylsulfonyl-5-N-(1-methylpiperidin-3-yl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropylsulfonyl-5-N-(1-methylpiperidin-3-yl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropylsulfonyl-5-N-(1-methylpiperidin-3-yl)-1,2-thiazole-3,5-diamine is CN1CCCC(Nc2snc(N)c2S(=O)(=O)C2CC2)C1.
What is the InChIKey of 4-cyclopropylsulfonyl-5-N-(1-methylpiperidin-3-yl)-1,2-thiazole-3,5-diamine?
The InChIKey is LIGMBPPLXLXRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S2/c1-16-6-2-3-8(7-16)14-12-10(11(13)15-19-12)20(17,18)9-4-5-9/h8-9,14H,2-7H2,1H3,(H2,13,15).
What are the key properties of 4-cyclopropylsulfonyl-5-N-(1-methylpiperidin-3-yl)-1,2-thiazole-3,5-diamine?
4-cyclopropylsulfonyl-5-N-(1-methylpiperidin-3-yl)-1,2-thiazole-3,5-diamine has a molecular weight of 316.45 g/mol, XLogP of 1.17, 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-methylpiperidin-3-yl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103348869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).