N-[2-(1-methylimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

C14H19N3S — CID 62841791

IUPACN-[2-(1-methylimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCn1ccnc1CCNC1CCCc2sccc21
InChIInChI=1S/C14H19N3S/c1-17-9-8-16-14(17)5-7-15-12-3-2-4-13-11(12)6-10-18-13/h6,8-10,12,15H,2-5,7H2,1H3
InChIKeyGMZODNJRDVILKX-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.69
Rot. Bonds4

About N-[2-(1-methylimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

N-[2-(1-methylimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (PubChem CID 62841791) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
PubChem CID62841791
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-[2-(1-methylimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCn1ccnc1CCNC1CCCc2sccc21
InChIInChI=1S/C14H19N3S/c1-17-9-8-16-14(17)5-7-15-12-3-2-4-13-11(12)6-10-18-13/h6,8-10,12,15H,2-5,7H2,1H3
InChIKeyGMZODNJRDVILKX-UHFFFAOYSA-N
XLogP2.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-methylimidazol-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 61215276
N-ethyl-2-(1-methylimidazol-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine
CID 105167288
N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 75382559
N-(2-pyridin-3-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62842143
N-[2-(1-methylimidazol-2-yl)ethyl]cyclooctanamine
CID 61214993
1-[2-(1-methylimidazol-2-yl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682234
N-[3-(4-methylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62840199
N'-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propane-1,3-diamine
CID 62842141
4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol
CID 62839946
N-[2-(1-methylimidazol-2-yl)ethyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 61211656
N-(3-phenylpropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 55122196
5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pentan-1-ol
CID 62839954

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (CID 62841791) is N-[2-(1-methylimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.
What is the SMILES notation for N-[2-(1-methylimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The canonical SMILES for N-[2-(1-methylimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is Cn1ccnc1CCNC1CCCc2sccc21.
What is the InChIKey of N-[2-(1-methylimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The InChIKey is GMZODNJRDVILKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-17-9-8-16-14(17)5-7-15-12-3-2-4-13-11(12)6-10-18-13/h6,8-10,12,15H,2-5,7H2,1H3.
What are the key properties of N-[2-(1-methylimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
N-[2-(1-methylimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine has a molecular weight of 261.39 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is sourced from PubChem (CID 62841791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).