2-ethylsulfanyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole

C9H16N4S2 — CID 30862971

IUPAC2-ethylsulfanyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole
SMILESCCSc1nnc(N2CCN(C)CC2)s1
InChIInChI=1S/C9H16N4S2/c1-3-14-9-11-10-8(15-9)13-6-4-12(2)5-7-13/h3-7H2,1-2H3
InChIKeyNAPBAGRAHASGNB-UHFFFAOYSA-N
MW244.39 g/mol
LogP1.40
Rot. Bonds3

About 2-ethylsulfanyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole

2-ethylsulfanyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole (PubChem CID 30862971) has the molecular formula C9H16N4S2 and a molecular weight of 244.39 g/mol. Its IUPAC name is 2-ethylsulfanyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-ethylsulfanyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole
PubChem CID30862971
Molecular FormulaC9H16N4S2
Molecular Weight244.39 g/mol
Exact Mass244.08
IUPAC Name2-ethylsulfanyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole
SMILESCCSc1nnc(N2CCN(C)CC2)s1
InChIInChI=1S/C9H16N4S2/c1-3-14-9-11-10-8(15-9)13-6-4-12(2)5-7-13/h3-7H2,1-2H3
InChIKeyNAPBAGRAHASGNB-UHFFFAOYSA-N
XLogP1.40
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.39
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-ethylsulfanyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole (CID 30862971) is 2-ethylsulfanyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-ethylsulfanyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-ethylsulfanyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole is CCSc1nnc(N2CCN(C)CC2)s1.
What is the InChIKey of 2-ethylsulfanyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole?
The InChIKey is NAPBAGRAHASGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S2/c1-3-14-9-11-10-8(15-9)13-6-4-12(2)5-7-13/h3-7H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole?
2-ethylsulfanyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole has a molecular weight of 244.39 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-5-(4-methylpiperazin-1-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 30862971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).