5-N-(4-methylpiperazin-1-yl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine

C9H17N5O2S2 — CID 103383777

IUPAC5-N-(4-methylpiperazin-1-yl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCN1CCN(Nc2snc(N)c2S(C)(=O)=O)CC1
InChIInChI=1S/C9H17N5O2S2/c1-13-3-5-14(6-4-13)11-9-7(18(2,15)16)8(10)12-17-9/h11H,3-6H2,1-2H3,(H2,10,12)
InChIKeyMLASBHXBOBIEER-UHFFFAOYSA-N
MW291.40 g/mol
LogP-0.30
Rot. Bonds3

About 5-N-(4-methylpiperazin-1-yl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine

5-N-(4-methylpiperazin-1-yl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine (PubChem CID 103383777) has the molecular formula C9H17N5O2S2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 5-N-(4-methylpiperazin-1-yl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(4-methylpiperazin-1-yl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
PubChem CID103383777
Molecular FormulaC9H17N5O2S2
Molecular Weight291.40 g/mol
Exact Mass291.08
IUPAC Name5-N-(4-methylpiperazin-1-yl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCN1CCN(Nc2snc(N)c2S(C)(=O)=O)CC1
InChIInChI=1S/C9H17N5O2S2/c1-13-3-5-14(6-4-13)11-9-7(18(2,15)16)8(10)12-17-9/h11H,3-6H2,1-2H3,(H2,10,12)
InChIKeyMLASBHXBOBIEER-UHFFFAOYSA-N
XLogP-0.30
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-N-(4-methylpiperazin-1-yl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(4-methylpiperazin-1-yl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine (CID 103383777) is 5-N-(4-methylpiperazin-1-yl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(4-methylpiperazin-1-yl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(4-methylpiperazin-1-yl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine is CN1CCN(Nc2snc(N)c2S(C)(=O)=O)CC1.
What is the InChIKey of 5-N-(4-methylpiperazin-1-yl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The InChIKey is MLASBHXBOBIEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2S2/c1-13-3-5-14(6-4-13)11-9-7(18(2,15)16)8(10)12-17-9/h11H,3-6H2,1-2H3,(H2,10,12).
What are the key properties of 5-N-(4-methylpiperazin-1-yl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
5-N-(4-methylpiperazin-1-yl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine has a molecular weight of 291.40 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-methylpiperazin-1-yl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103383777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).