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

C13H22N4O2S2 — CID 103348863

IUPAC4-cyclopropylsulfonyl-5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine
SMILESCCN1CCCC(Nc2snc(N)c2S(=O)(=O)C2CC2)C1
InChIInChI=1S/C13H22N4O2S2/c1-2-17-7-3-4-9(8-17)15-13-11(12(14)16-20-13)21(18,19)10-5-6-10/h9-10,15H,2-8H2,1H3,(H2,14,16)
InChIKeySWKQFISUVXEKDJ-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.56
Rot. Bonds5

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

4-cyclopropylsulfonyl-5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine (PubChem CID 103348863) has the molecular formula C13H22N4O2S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine
PubChem CID103348863
Molecular FormulaC13H22N4O2S2
Molecular Weight330.48 g/mol
Exact Mass330.12
IUPAC Name4-cyclopropylsulfonyl-5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine
SMILESCCN1CCCC(Nc2snc(N)c2S(=O)(=O)C2CC2)C1
InChIInChI=1S/C13H22N4O2S2/c1-2-17-7-3-4-9(8-17)15-13-11(12(14)16-20-13)21(18,19)10-5-6-10/h9-10,15H,2-8H2,1H3,(H2,14,16)
InChIKeySWKQFISUVXEKDJ-UHFFFAOYSA-N
XLogP1.56
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonyl-5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropylsulfonyl-5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine (CID 103348863) is 4-cyclopropylsulfonyl-5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropylsulfonyl-5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropylsulfonyl-5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine is CCN1CCCC(Nc2snc(N)c2S(=O)(=O)C2CC2)C1.
What is the InChIKey of 4-cyclopropylsulfonyl-5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine?
The InChIKey is SWKQFISUVXEKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S2/c1-2-17-7-3-4-9(8-17)15-13-11(12(14)16-20-13)21(18,19)10-5-6-10/h9-10,15H,2-8H2,1H3,(H2,14,16).
What are the key properties of 4-cyclopropylsulfonyl-5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine?
4-cyclopropylsulfonyl-5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine has a molecular weight of 330.48 g/mol, XLogP of 1.56, 5 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-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103348863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).