N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine

C13H15N5S — CID 105164834

IUPACN-methyl-2-(1-methylbenzimidazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
SMILESCNC(Cc1nc2ccccc2n1C)c1cnsn1
InChIInChI=1S/C13H15N5S/c1-14-10(11-8-15-19-17-11)7-13-16-9-5-3-4-6-12(9)18(13)2/h3-6,8,10,14H,7H2,1-2H3
InChIKeyKAVXSCLNBKQGKR-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.93
Rot. Bonds4

About N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine

N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine (PubChem CID 105164834) has the molecular formula C13H15N5S and a molecular weight of 273.37 g/mol. Its IUPAC name is N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(1-methylbenzimidazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
PubChem CID105164834
Molecular FormulaC13H15N5S
Molecular Weight273.37 g/mol
Exact Mass273.10
IUPAC NameN-methyl-2-(1-methylbenzimidazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
SMILESCNC(Cc1nc2ccccc2n1C)c1cnsn1
InChIInChI=1S/C13H15N5S/c1-14-10(11-8-15-19-17-11)7-13-16-9-5-3-4-6-12(9)18(13)2/h3-6,8,10,14H,7H2,1-2H3
InChIKeyKAVXSCLNBKQGKR-UHFFFAOYSA-N
XLogP1.93
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(thiadiazol-5-yl)ethanamine
CID 105164915
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530552
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-pyrimidin-4-ylethanamine
CID 79750104
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 79750179
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(3-methylimidazol-4-yl)ethanamine
CID 82896332
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 114878188
1-(furan-3-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 79750479
1-(2-bromofuran-3-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 106858090
N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79754110
N,4,4-trimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79750625
N,5-dimethyl-1-(1-methylbenzimidazol-2-yl)hexan-2-amine
CID 79750546
[2-(1-methylbenzimidazol-2-yl)-1-(thiadiazol-4-yl)ethyl]hydrazine
CID 105321037

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine?
The IUPAC name of N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine (CID 105164834) is N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine?
The canonical SMILES for N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine is CNC(Cc1nc2ccccc2n1C)c1cnsn1.
What is the InChIKey of N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine?
The InChIKey is KAVXSCLNBKQGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S/c1-14-10(11-8-15-19-17-11)7-13-16-9-5-3-4-6-12(9)18(13)2/h3-6,8,10,14H,7H2,1-2H3.
What are the key properties of N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine?
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine has a molecular weight of 273.37 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine is sourced from PubChem (CID 105164834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).