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

C12H23N5S — CID 114539495

IUPACN-ethyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]thiadiazol-5-amine
SMILESCCNc1snnc1CN1CC(C)N(C)C(C)C1
InChIInChI=1S/C12H23N5S/c1-5-13-12-11(14-15-18-12)8-17-6-9(2)16(4)10(3)7-17/h9-10,13H,5-8H2,1-4H3
InChIKeyJJQQVFOLSPBCHI-UHFFFAOYSA-N
MW269.42 g/mol
LogP1.49
Rot. Bonds4

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

N-ethyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]thiadiazol-5-amine (PubChem CID 114539495) has the molecular formula C12H23N5S and a molecular weight of 269.42 g/mol. Its IUPAC name is N-ethyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]thiadiazol-5-amine
PubChem CID114539495
Molecular FormulaC12H23N5S
Molecular Weight269.42 g/mol
Exact Mass269.17
IUPAC NameN-ethyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]thiadiazol-5-amine
SMILESCCNc1snnc1CN1CC(C)N(C)C(C)C1
InChIInChI=1S/C12H23N5S/c1-5-13-12-11(14-15-18-12)8-17-6-9(2)16(4)10(3)7-17/h9-10,13H,5-8H2,1-4H3
InChIKeyJJQQVFOLSPBCHI-UHFFFAOYSA-N
XLogP1.49
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.42
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3,4-dimethylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine
CID 63633354
N-ethyl-4-[(4-propylpiperazin-1-yl)methyl]thiadiazol-5-amine
CID 62178572
N-ethyl-4-[(4-ethylpiperidin-1-yl)methyl]thiadiazol-5-amine
CID 55046378
4-[(4-cyclopropylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine
CID 62209514
4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-ethylthiadiazol-5-amine
CID 55046143
4-(1,3-dihydroisoindol-2-ylmethyl)-N-ethylthiadiazol-5-amine
CID 62231992
[1-[[5-(ethylamino)thiadiazol-4-yl]methyl]piperidin-4-yl]methanol
CID 62176993
4-[(4-cyclopentylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine
CID 62370305
N-ethyl-4-[(2-ethylmorpholin-4-yl)methyl]thiadiazol-5-amine
CID 55046502
4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-N-methylthiadiazol-5-amine
CID 63634062
[4-[(3,5-dimethylpiperidin-1-yl)methyl]thiadiazol-5-yl]hydrazine
CID 62244417
1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4-propylpiperazine-2,5-dione
CID 79941763

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]thiadiazol-5-amine?
The IUPAC name of N-ethyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]thiadiazol-5-amine (CID 114539495) is N-ethyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]thiadiazol-5-amine?
The canonical SMILES for N-ethyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]thiadiazol-5-amine is CCNc1snnc1CN1CC(C)N(C)C(C)C1.
What is the InChIKey of N-ethyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]thiadiazol-5-amine?
The InChIKey is JJQQVFOLSPBCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5S/c1-5-13-12-11(14-15-18-12)8-17-6-9(2)16(4)10(3)7-17/h9-10,13H,5-8H2,1-4H3.
What are the key properties of N-ethyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]thiadiazol-5-amine?
N-ethyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]thiadiazol-5-amine has a molecular weight of 269.42 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]thiadiazol-5-amine is sourced from PubChem (CID 114539495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).