N-ethyl-4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]thiadiazol-5-amine

C12H23N5S — CID 55215442

IUPACN-ethyl-4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]thiadiazol-5-amine
SMILESCCNc1snnc1CN1CCN(CC)C(C)C1
InChIInChI=1S/C12H23N5S/c1-4-13-12-11(14-15-18-12)9-16-6-7-17(5-2)10(3)8-16/h10,13H,4-9H2,1-3H3
InChIKeyXXSPCNGGPABGGU-UHFFFAOYSA-N
MW269.42 g/mol
LogP1.50
Rot. Bonds5

About N-ethyl-4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]thiadiazol-5-amine

N-ethyl-4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]thiadiazol-5-amine (PubChem CID 55215442) has the molecular formula C12H23N5S and a molecular weight of 269.42 g/mol. Its IUPAC name is N-ethyl-4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]thiadiazol-5-amine
PubChem CID55215442
Molecular FormulaC12H23N5S
Molecular Weight269.42 g/mol
Exact Mass269.17
IUPAC NameN-ethyl-4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]thiadiazol-5-amine
SMILESCCNc1snnc1CN1CCN(CC)C(C)C1
InChIInChI=1S/C12H23N5S/c1-4-13-12-11(14-15-18-12)9-16-6-7-17(5-2)10(3)8-16/h10,13H,4-9H2,1-3H3
InChIKeyXXSPCNGGPABGGU-UHFFFAOYSA-N
XLogP1.50
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]thiadiazol-5-amine?
The IUPAC name of N-ethyl-4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]thiadiazol-5-amine (CID 55215442) is N-ethyl-4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]thiadiazol-5-amine?
The canonical SMILES for N-ethyl-4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]thiadiazol-5-amine is CCNc1snnc1CN1CCN(CC)C(C)C1.
What is the InChIKey of N-ethyl-4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]thiadiazol-5-amine?
The InChIKey is XXSPCNGGPABGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5S/c1-4-13-12-11(14-15-18-12)9-16-6-7-17(5-2)10(3)8-16/h10,13H,4-9H2,1-3H3.
What are the key properties of N-ethyl-4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]thiadiazol-5-amine?
N-ethyl-4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]thiadiazol-5-amine has a molecular weight of 269.42 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]thiadiazol-5-amine is sourced from PubChem (CID 55215442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).