N-cyclopentyl-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide

C12H18N4O2S2 — CID 53151917

IUPACN-cyclopentyl-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESCCc1nn2c(S(=O)(=O)NC3CCCC3)c(C)nc2s1
InChIInChI=1S/C12H18N4O2S2/c1-3-10-14-16-11(8(2)13-12(16)19-10)20(17,18)15-9-6-4-5-7-9/h9,15H,3-7H2,1-2H3
InChIKeyTXPIYWRMIGQSAH-UHFFFAOYSA-N
MW314.44 g/mol
LogP1.88
Rot. Bonds4

About N-cyclopentyl-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide

N-cyclopentyl-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (PubChem CID 53151917) has the molecular formula C12H18N4O2S2 and a molecular weight of 314.44 g/mol. Its IUPAC name is N-cyclopentyl-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
PubChem CID53151917
Molecular FormulaC12H18N4O2S2
Molecular Weight314.44 g/mol
Exact Mass314.09
IUPAC NameN-cyclopentyl-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESCCc1nn2c(S(=O)(=O)NC3CCCC3)c(C)nc2s1
InChIInChI=1S/C12H18N4O2S2/c1-3-10-14-16-11(8(2)13-12(16)19-10)20(17,18)15-9-6-4-5-7-9/h9,15H,3-7H2,1-2H3
InChIKeyTXPIYWRMIGQSAH-UHFFFAOYSA-N
XLogP1.88
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The IUPAC name of N-cyclopentyl-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (CID 53151917) is N-cyclopentyl-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.
What is the SMILES notation for N-cyclopentyl-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The canonical SMILES for N-cyclopentyl-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is CCc1nn2c(S(=O)(=O)NC3CCCC3)c(C)nc2s1.
What is the InChIKey of N-cyclopentyl-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The InChIKey is TXPIYWRMIGQSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S2/c1-3-10-14-16-11(8(2)13-12(16)19-10)20(17,18)15-9-6-4-5-7-9/h9,15H,3-7H2,1-2H3.
What are the key properties of N-cyclopentyl-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
N-cyclopentyl-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide has a molecular weight of 314.44 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is sourced from PubChem (CID 53151917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).