N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine

C11H21N5S — CID 65274333

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCC2CN(C)CCN2C)n1
InChIInChI=1S/C11H21N5S/c1-4-10-13-11(17-14-10)12-7-9-8-15(2)5-6-16(9)3/h9H,4-8H2,1-3H3,(H,12,13,14)
InChIKeyLMEFOAGLJIYZSP-UHFFFAOYSA-N
MW255.39 g/mol
LogP0.76
Rot. Bonds4

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine

N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine (PubChem CID 65274333) has the molecular formula C11H21N5S and a molecular weight of 255.39 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine
PubChem CID65274333
Molecular FormulaC11H21N5S
Molecular Weight255.39 g/mol
Exact Mass255.15
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCC2CN(C)CCN2C)n1
InChIInChI=1S/C11H21N5S/c1-4-10-13-11(17-14-10)12-7-9-8-15(2)5-6-16(9)3/h9H,4-8H2,1-3H3,(H,12,13,14)
InChIKeyLMEFOAGLJIYZSP-UHFFFAOYSA-N
XLogP0.76
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-thiadiazole-3,5-diamine
CID 66278571
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 133399736
2-[(1,4-dimethylpiperazin-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 80568507
3-ethyl-N-[(3-methylcyclobutyl)methyl]-1,2,4-thiadiazol-5-amine
CID 164660260
5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine
CID 103361725
ethyl 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116526911
methyl 2-[2-[(1,4-dimethylpiperazin-2-yl)methylamino]-1,3-thiazol-4-yl]acetate
CID 80576298
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine
CID 63899169
N-(1,3-dimethylpiperidin-4-yl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 115886007
N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-1,3-benzothiazol-2-amine
CID 63898413
4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-N,5-diethylpyrimidine-4,6-diamine
CID 80819508
6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80968303

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine (CID 65274333) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine is CCc1nsc(NCC2CN(C)CCN2C)n1.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is LMEFOAGLJIYZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5S/c1-4-10-13-11(17-14-10)12-7-9-8-15(2)5-6-16(9)3/h9H,4-8H2,1-3H3,(H,12,13,14).
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 255.39 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65274333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).