N-[(1-ethylimidazol-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine

C11H17N5S — CID 65216299

IUPACN-[(1-ethylimidazol-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1csnn1)c1nccn1CC
InChIInChI=1S/C11H17N5S/c1-3-5-12-10(9-8-17-15-14-9)11-13-6-7-16(11)4-2/h6-8,10,12H,3-5H2,1-2H3
InChIKeyBROVBDYFSFLFMF-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.84
Rot. Bonds6

About N-[(1-ethylimidazol-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine

N-[(1-ethylimidazol-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine (PubChem CID 65216299) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine
PubChem CID65216299
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC NameN-[(1-ethylimidazol-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1csnn1)c1nccn1CC
InChIInChI=1S/C11H17N5S/c1-3-5-12-10(9-8-17-15-14-9)11-13-6-7-16(11)4-2/h6-8,10,12H,3-5H2,1-2H3
InChIKeyBROVBDYFSFLFMF-UHFFFAOYSA-N
XLogP1.84
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-ethylimidazol-2-yl)-(5-iodothiophen-3-yl)methyl]propan-1-amine
CID 79684646
N-[thiadiazol-4-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 105142581
N-[(1-ethylimidazol-2-yl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 61314827
N-[(1-propylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 61318763
N-[(1-ethylimidazol-2-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 65199087
N-[(1-ethylimidazol-2-yl)-(furan-2-yl)methyl]propan-1-amine
CID 61315206
N-[(4-fluorophenyl)-(thiadiazol-4-yl)methyl]propan-1-amine
CID 105087955
N-[(4-chlorophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 61318759
2-(1-ethylimidazol-2-yl)-1-(thiadiazol-4-yl)ethanol
CID 105112314
2-(1-ethylimidazol-2-yl)-1-(thiadiazol-4-yl)ethanamine
CID 105165773
N-[(4-methoxyphenyl)-(thiadiazol-4-yl)methyl]propan-1-amine
CID 105095117
N-propyl-1-(thiadiazol-4-yl)propan-1-amine
CID 105078585

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine (CID 65216299) is N-[(1-ethylimidazol-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine is CCCNC(c1csnn1)c1nccn1CC.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine?
The InChIKey is BROVBDYFSFLFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-3-5-12-10(9-8-17-15-14-9)11-13-6-7-16(11)4-2/h6-8,10,12H,3-5H2,1-2H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine?
N-[(1-ethylimidazol-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine has a molecular weight of 251.36 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)-(thiadiazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 65216299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).