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

C11H18N4O2S2 — CID 103348891

IUPAC4-cyclopropylsulfonyl-5-N-(1-methylpyrrolidin-3-yl)-1,2-thiazole-3,5-diamine
SMILESCN1CCC(Nc2snc(N)c2S(=O)(=O)C2CC2)C1
InChIInChI=1S/C11H18N4O2S2/c1-15-5-4-7(6-15)13-11-9(10(12)14-18-11)19(16,17)8-2-3-8/h7-8,13H,2-6H2,1H3,(H2,12,14)
InChIKeyLMAABAUFSZYJBY-UHFFFAOYSA-N
MW302.43 g/mol
LogP0.78
Rot. Bonds4

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

4-cyclopropylsulfonyl-5-N-(1-methylpyrrolidin-3-yl)-1,2-thiazole-3,5-diamine (PubChem CID 103348891) has the molecular formula C11H18N4O2S2 and a molecular weight of 302.43 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-5-N-(1-methylpyrrolidin-3-yl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-5-N-(1-methylpyrrolidin-3-yl)-1,2-thiazole-3,5-diamine
PubChem CID103348891
Molecular FormulaC11H18N4O2S2
Molecular Weight302.43 g/mol
Exact Mass302.09
IUPAC Name4-cyclopropylsulfonyl-5-N-(1-methylpyrrolidin-3-yl)-1,2-thiazole-3,5-diamine
SMILESCN1CCC(Nc2snc(N)c2S(=O)(=O)C2CC2)C1
InChIInChI=1S/C11H18N4O2S2/c1-15-5-4-7(6-15)13-11-9(10(12)14-18-11)19(16,17)8-2-3-8/h7-8,13H,2-6H2,1H3,(H2,12,14)
InChIKeyLMAABAUFSZYJBY-UHFFFAOYSA-N
XLogP0.78
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 50.78
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-methylpyrrolidin-3-yl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropylsulfonyl-5-N-(1-methylpyrrolidin-3-yl)-1,2-thiazole-3,5-diamine (CID 103348891) is 4-cyclopropylsulfonyl-5-N-(1-methylpyrrolidin-3-yl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropylsulfonyl-5-N-(1-methylpyrrolidin-3-yl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropylsulfonyl-5-N-(1-methylpyrrolidin-3-yl)-1,2-thiazole-3,5-diamine is CN1CCC(Nc2snc(N)c2S(=O)(=O)C2CC2)C1.
What is the InChIKey of 4-cyclopropylsulfonyl-5-N-(1-methylpyrrolidin-3-yl)-1,2-thiazole-3,5-diamine?
The InChIKey is LMAABAUFSZYJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S2/c1-15-5-4-7(6-15)13-11-9(10(12)14-18-11)19(16,17)8-2-3-8/h7-8,13H,2-6H2,1H3,(H2,12,14).
What are the key properties of 4-cyclopropylsulfonyl-5-N-(1-methylpyrrolidin-3-yl)-1,2-thiazole-3,5-diamine?
4-cyclopropylsulfonyl-5-N-(1-methylpyrrolidin-3-yl)-1,2-thiazole-3,5-diamine has a molecular weight of 302.43 g/mol, XLogP of 0.78, 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-methylpyrrolidin-3-yl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103348891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).