N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-methylpiperazine-1-sulfonamide

C12H22N4O2S2 — CID 122569636

IUPACN-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-methylpiperazine-1-sulfonamide
SMILESCCc1nc(C)c(CNS(=O)(=O)N2CCN(C)CC2)s1
InChIInChI=1S/C12H22N4O2S2/c1-4-12-14-10(2)11(19-12)9-13-20(17,18)16-7-5-15(3)6-8-16/h13H,4-9H2,1-3H3
InChIKeyKMUOVDUUILUAPU-UHFFFAOYSA-N
MW318.47 g/mol
LogP0.60
Rot. Bonds5

About N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-methylpiperazine-1-sulfonamide

N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-methylpiperazine-1-sulfonamide (PubChem CID 122569636) has the molecular formula C12H22N4O2S2 and a molecular weight of 318.47 g/mol. Its IUPAC name is N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-methylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-methylpiperazine-1-sulfonamide
PubChem CID122569636
Molecular FormulaC12H22N4O2S2
Molecular Weight318.47 g/mol
Exact Mass318.12
IUPAC NameN-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-methylpiperazine-1-sulfonamide
SMILESCCc1nc(C)c(CNS(=O)(=O)N2CCN(C)CC2)s1
InChIInChI=1S/C12H22N4O2S2/c1-4-12-14-10(2)11(19-12)9-13-20(17,18)16-7-5-15(3)6-8-16/h13H,4-9H2,1-3H3
InChIKeyKMUOVDUUILUAPU-UHFFFAOYSA-N
XLogP0.60
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-methylpiperazine-1-sulfonamide?
The IUPAC name of N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-methylpiperazine-1-sulfonamide (CID 122569636) is N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-methylpiperazine-1-sulfonamide.
What is the SMILES notation for N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-methylpiperazine-1-sulfonamide?
The canonical SMILES for N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-methylpiperazine-1-sulfonamide is CCc1nc(C)c(CNS(=O)(=O)N2CCN(C)CC2)s1.
What is the InChIKey of N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-methylpiperazine-1-sulfonamide?
The InChIKey is KMUOVDUUILUAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S2/c1-4-12-14-10(2)11(19-12)9-13-20(17,18)16-7-5-15(3)6-8-16/h13H,4-9H2,1-3H3.
What are the key properties of N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-methylpiperazine-1-sulfonamide?
N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-methylpiperazine-1-sulfonamide has a molecular weight of 318.47 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-methylpiperazine-1-sulfonamide is sourced from PubChem (CID 122569636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).