5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-4,5-dihydro-1H-imidazol-2-amine

C13H18N6S — CID 70964432

IUPAC5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESNC1=NCC(CCCc2cn(Cc3ccsc3)nn2)N1
InChIInChI=1S/C13H18N6S/c14-13-15-6-11(16-13)2-1-3-12-8-19(18-17-12)7-10-4-5-20-9-10/h4-5,8-9,11H,1-3,6-7H2,(H3,14,15,16)
InChIKeyCPXCUBKPOCZJSZ-UHFFFAOYSA-N
MW290.40 g/mol
LogP1.00
Rot. Bonds6

About 5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-4,5-dihydro-1H-imidazol-2-amine

5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 70964432) has the molecular formula C13H18N6S and a molecular weight of 290.40 g/mol. Its IUPAC name is 5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID70964432
Molecular FormulaC13H18N6S
Molecular Weight290.40 g/mol
Exact Mass290.13
IUPAC Name5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESNC1=NCC(CCCc2cn(Cc3ccsc3)nn2)N1
InChIInChI=1S/C13H18N6S/c14-13-15-6-11(16-13)2-1-3-12-8-19(18-17-12)7-10-4-5-20-9-10/h4-5,8-9,11H,1-3,6-7H2,(H3,14,15,16)
InChIKeyCPXCUBKPOCZJSZ-UHFFFAOYSA-N
XLogP1.00
TPSA81.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-1-{1-[1-(3-thienylmethyl)-4-piperidinyl]-1H-1,2,3-triazol-4-yl}methanamine bis(trifluoroacetate)
CID 31162386
5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-1H-imidazol-2-amine
CID 57914392
4-[3-(1-Thiophen-3-ylmethyl-1H-[1,2,3]triazol-4-yl)-propyl]-1H-imidazol-2-ylamine hydrochloride
CID 67064299
5-[[1-(2-thiophen-3-ylethyl)triazol-4-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 70964372
propane;N'-[(Z)-1-[1-(thiophen-3-ylmethyl)triazol-4-yl]but-2-en-2-yl]ethanimidamide
CID 144021757
2-[4-(ethylaminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine
CID 62421399
N-[[1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62421400
N-[[1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62421565
N-[[1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62421566
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 62436983
N-[(1-methyltriazol-4-yl)methyl]-2-thiophen-3-ylethanamine
CID 62756700
N-[(1-methyltriazol-4-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 62756701

Frequently Asked Questions

What is the IUPAC name of 5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of 5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-4,5-dihydro-1H-imidazol-2-amine (CID 70964432) is 5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for 5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for 5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-4,5-dihydro-1H-imidazol-2-amine is NC1=NCC(CCCc2cn(Cc3ccsc3)nn2)N1.
What is the InChIKey of 5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is CPXCUBKPOCZJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6S/c14-13-15-6-11(16-13)2-1-3-12-8-19(18-17-12)7-10-4-5-20-9-10/h4-5,8-9,11H,1-3,6-7H2,(H3,14,15,16).
What are the key properties of 5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-4,5-dihydro-1H-imidazol-2-amine?
5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 290.40 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[1-(thiophen-3-ylmethyl)triazol-4-yl]propyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 70964432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).