2-(1-methylbenzimidazol-2-yl)-1-(4-propylthiadiazol-5-yl)ethanamine

C15H19N5S — CID 105164911

IUPAC2-(1-methylbenzimidazol-2-yl)-1-(4-propylthiadiazol-5-yl)ethanamine
SMILESCCCc1nnsc1C(N)Cc1nc2ccccc2n1C
InChIInChI=1S/C15H19N5S/c1-3-6-12-15(21-19-18-12)10(16)9-14-17-11-7-4-5-8-13(11)20(14)2/h4-5,7-8,10H,3,6,9,16H2,1-2H3
InChIKeyNWFAGPUNEOCSJY-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.62
Rot. Bonds5

About 2-(1-methylbenzimidazol-2-yl)-1-(4-propylthiadiazol-5-yl)ethanamine

2-(1-methylbenzimidazol-2-yl)-1-(4-propylthiadiazol-5-yl)ethanamine (PubChem CID 105164911) has the molecular formula C15H19N5S and a molecular weight of 301.42 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-2-yl)-1-(4-propylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(1-methylbenzimidazol-2-yl)-1-(4-propylthiadiazol-5-yl)ethanamine
PubChem CID105164911
Molecular FormulaC15H19N5S
Molecular Weight301.42 g/mol
Exact Mass301.14
IUPAC Name2-(1-methylbenzimidazol-2-yl)-1-(4-propylthiadiazol-5-yl)ethanamine
SMILESCCCc1nnsc1C(N)Cc1nc2ccccc2n1C
InChIInChI=1S/C15H19N5S/c1-3-6-12-15(21-19-18-12)10(16)9-14-17-11-7-4-5-8-13(11)20(14)2/h4-5,7-8,10H,3,6,9,16H2,1-2H3
InChIKeyNWFAGPUNEOCSJY-UHFFFAOYSA-N
XLogP2.62
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-methylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine
CID 79753296
2-amino-3-(1-methylbenzimidazol-2-yl)propan-1-ol;hydrochloride
CID 170893125
1-(4-bromophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 79753790
1-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 79753862
2-(2,6-difluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105190680
1-cyclobutyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 79750402
4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79753294
2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 45075160
2-(1-methylbenzimidazol-2-yl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 105164906
2-(1-methylbenzimidazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanamine
CID 105164893
1-(1-methylbenzimidazol-2-yl)-3-propoxypropan-2-ol
CID 79753857
3-ethyl-3-N,3-N-dimethyl-1-(1-methylbenzimidazol-2-yl)pentane-2,3-diamine
CID 79757194

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-2-yl)-1-(4-propylthiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(1-methylbenzimidazol-2-yl)-1-(4-propylthiadiazol-5-yl)ethanamine (CID 105164911) is 2-(1-methylbenzimidazol-2-yl)-1-(4-propylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(1-methylbenzimidazol-2-yl)-1-(4-propylthiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(1-methylbenzimidazol-2-yl)-1-(4-propylthiadiazol-5-yl)ethanamine is CCCc1nnsc1C(N)Cc1nc2ccccc2n1C.
What is the InChIKey of 2-(1-methylbenzimidazol-2-yl)-1-(4-propylthiadiazol-5-yl)ethanamine?
The InChIKey is NWFAGPUNEOCSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5S/c1-3-6-12-15(21-19-18-12)10(16)9-14-17-11-7-4-5-8-13(11)20(14)2/h4-5,7-8,10H,3,6,9,16H2,1-2H3.
What are the key properties of 2-(1-methylbenzimidazol-2-yl)-1-(4-propylthiadiazol-5-yl)ethanamine?
2-(1-methylbenzimidazol-2-yl)-1-(4-propylthiadiazol-5-yl)ethanamine has a molecular weight of 301.42 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylbenzimidazol-2-yl)-1-(4-propylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105164911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).