1-methyl-1-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-3-(2-thiophen-3-ylethyl)urea

C18H23N3OS — CID 135213976

IUPAC1-methyl-1-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-3-(2-thiophen-3-ylethyl)urea
SMILESCN(CC1Cc2ccccc2CN1)C(=O)NCCc1ccsc1
InChIInChI=1S/C18H23N3OS/c1-21(18(22)19-8-6-14-7-9-23-13-14)12-17-10-15-4-2-3-5-16(15)11-20-17/h2-5,7,9,13,17,20H,6,8,10-12H2,1H3,(H,19,22)
InChIKeyBQLTXEXNJXQBIV-UHFFFAOYSA-N
MW329.47 g/mol
LogP2.65
Rot. Bonds5

About 1-methyl-1-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-3-(2-thiophen-3-ylethyl)urea

1-methyl-1-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-3-(2-thiophen-3-ylethyl)urea (PubChem CID 135213976) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 1-methyl-1-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-3-(2-thiophen-3-ylethyl)urea.

Molecular Properties

Compound Name1-methyl-1-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-3-(2-thiophen-3-ylethyl)urea
PubChem CID135213976
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name1-methyl-1-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-3-(2-thiophen-3-ylethyl)urea
SMILESCN(CC1Cc2ccccc2CN1)C(=O)NCCc1ccsc1
InChIInChI=1S/C18H23N3OS/c1-21(18(22)19-8-6-14-7-9-23-13-14)12-17-10-15-4-2-3-5-16(15)11-20-17/h2-5,7,9,13,17,20H,6,8,10-12H2,1H3,(H,19,22)
InChIKeyBQLTXEXNJXQBIV-UHFFFAOYSA-N
XLogP2.65
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-methyl-1-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-3-(2-thiophen-3-ylethyl)urea with MolForge

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Related Compounds

1-methyl-3-(2-phenylethyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea
CID 135213978
2-[methyl(2-thiophen-3-ylethylcarbamoyl)amino]acetic acid
CID 61475397
1-[[(3S)-7-hydroxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-1-prop-2-enyl-3-(2-thiophen-3-ylethyl)urea
CID 135214142
1-methyl-1-(2-phenylethyl)-3-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]urea
CID 135214209
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-methyl-3-(2-thiophen-3-ylethyl)urea
CID 53499166
N-(2-thiophen-3-ylethyl)-2,3-dihydro-1H-inden-2-amine
CID 54953358
3-butyl-1-methyl-1-(thiophen-3-ylmethyl)urea
CID 115574006
N-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)ethanamine
CID 10822718
(2S)-2-phenylmethoxy-N-(2-thiophen-3-ylethyl)propanamide
CID 94023398
N-[2-(3-chlorophenyl)ethyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 8925838
N-(2-thiophen-3-ylethyl)-1H-pyrrole-2-carboxamide
CID 110475807
N-methyl-2-methylsulfanyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)ethanamine
CID 112660760

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-3-(2-thiophen-3-ylethyl)urea?
The IUPAC name of 1-methyl-1-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-3-(2-thiophen-3-ylethyl)urea (CID 135213976) is 1-methyl-1-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-3-(2-thiophen-3-ylethyl)urea.
What is the SMILES notation for 1-methyl-1-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-3-(2-thiophen-3-ylethyl)urea?
The canonical SMILES for 1-methyl-1-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-3-(2-thiophen-3-ylethyl)urea is CN(CC1Cc2ccccc2CN1)C(=O)NCCc1ccsc1.
What is the InChIKey of 1-methyl-1-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-3-(2-thiophen-3-ylethyl)urea?
The InChIKey is BQLTXEXNJXQBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-21(18(22)19-8-6-14-7-9-23-13-14)12-17-10-15-4-2-3-5-16(15)11-20-17/h2-5,7,9,13,17,20H,6,8,10-12H2,1H3,(H,19,22).
What are the key properties of 1-methyl-1-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-3-(2-thiophen-3-ylethyl)urea?
1-methyl-1-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-3-(2-thiophen-3-ylethyl)urea has a molecular weight of 329.47 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-3-(2-thiophen-3-ylethyl)urea is sourced from PubChem (CID 135213976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).