N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine

C14H17N5OS — CID 103917710

IUPACN-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCc1noc(CCNC(c2cccs2)c2nccn2C)n1
InChIInChI=1S/C14H17N5OS/c1-10-17-12(20-18-10)5-6-15-13(11-4-3-9-21-11)14-16-7-8-19(14)2/h3-4,7-9,13,15H,5-6H2,1-2H3
InChIKeyVPBVPTKIDZWUNH-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.09
Rot. Bonds6

About N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine

N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 103917710) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID103917710
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC NameN-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCc1noc(CCNC(c2cccs2)c2nccn2C)n1
InChIInChI=1S/C14H17N5OS/c1-10-17-12(20-18-10)5-6-15-13(11-4-3-9-21-11)14-16-7-8-19(14)2/h3-4,7-9,13,15H,5-6H2,1-2H3
InChIKeyVPBVPTKIDZWUNH-UHFFFAOYSA-N
XLogP2.09
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-imidazol-1-ylpropyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 45829762
N-(2-imidazol-1-ylethyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 45830128
2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 53555907
2-(1H-imidazol-2-yl)-1-[4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]ethanone
CID 54580245
1-isopropyl-4-[2-(3-methyl-2-thienyl)-1H-imidazol-1-yl]pyrrolidin-2-one
CID 70774182
N-(3-imidazol-1-ylpropyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 71688563
2-(2-isopropyl-1H-imidazol-1-yl)-N-{[5-(2-thienylmethyl)-1,2,4-oxadiazol-3-yl]methyl}propanamide
CID 72861355
5-[3-[2-[(2-Methylimidazol-1-yl)methyl]pyrrolidin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 75376866
N1-(3-(1H-imidazol-1-yl)propyl)-N2-(thiophen-2-ylmethyl)oxalamide
CID 18588658
(2S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 97848305
1-methyl-N-{[3-(2-thienylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-1H-imidazole-2-carboxamide
CID 132418927
N-methoxy-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]imidazole-1-carboxamide
CID 142423265

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine (CID 103917710) is N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine is Cc1noc(CCNC(c2cccs2)c2nccn2C)n1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is VPBVPTKIDZWUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-10-17-12(20-18-10)5-6-15-13(11-4-3-9-21-11)14-16-7-8-19(14)2/h3-4,7-9,13,15H,5-6H2,1-2H3.
What are the key properties of N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 303.39 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 103917710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).