N-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-amine

C9H16N4O2S2 — CID 141119439

IUPACN-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-amine
SMILESCNc1ncc(S(=O)(=O)N2CCN(C)CC2)s1
InChIInChI=1S/C9H16N4O2S2/c1-10-9-11-7-8(16-9)17(14,15)13-5-3-12(2)4-6-13/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyCORBFFPEQMVSBE-UHFFFAOYSA-N
MW276.39 g/mol
LogP0.12
Rot. Bonds3

About N-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-amine

N-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-amine (PubChem CID 141119439) has the molecular formula C9H16N4O2S2 and a molecular weight of 276.39 g/mol. Its IUPAC name is N-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-amine
PubChem CID141119439
Molecular FormulaC9H16N4O2S2
Molecular Weight276.39 g/mol
Exact Mass276.07
IUPAC NameN-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-amine
SMILESCNc1ncc(S(=O)(=O)N2CCN(C)CC2)s1
InChIInChI=1S/C9H16N4O2S2/c1-10-9-11-7-8(16-9)17(14,15)13-5-3-12(2)4-6-13/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyCORBFFPEQMVSBE-UHFFFAOYSA-N
XLogP0.12
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-amine (CID 141119439) is N-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-amine is CNc1ncc(S(=O)(=O)N2CCN(C)CC2)s1.
What is the InChIKey of N-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-amine?
The InChIKey is CORBFFPEQMVSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S2/c1-10-9-11-7-8(16-9)17(14,15)13-5-3-12(2)4-6-13/h7H,3-6H2,1-2H3,(H,10,11).
What are the key properties of N-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-amine?
N-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-amine has a molecular weight of 276.39 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-amine is sourced from PubChem (CID 141119439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).