N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-3-carboxamide

C14H14N2OS — CID 80554577

IUPACN-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-3-carboxamide
SMILESO=C(Nc1cccc2c1CCNC2)c1ccsc1
InChIInChI=1S/C14H14N2OS/c17-14(11-5-7-18-9-11)16-13-3-1-2-10-8-15-6-4-12(10)13/h1-3,5,7,9,15H,4,6,8H2,(H,16,17)
InChIKeyUVTCTIKWUDFSRU-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.65
Rot. Bonds2

About N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-3-carboxamide

N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-3-carboxamide (PubChem CID 80554577) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-3-carboxamide
PubChem CID80554577
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC NameN-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-3-carboxamide
SMILESO=C(Nc1cccc2c1CCNC2)c1ccsc1
InChIInChI=1S/C14H14N2OS/c17-14(11-5-7-18-9-11)16-13-3-1-2-10-8-15-6-4-12(10)13/h1-3,5,7,9,15H,4,6,8H2,(H,16,17)
InChIKeyUVTCTIKWUDFSRU-UHFFFAOYSA-N
XLogP2.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-2-carboxamide
CID 80554310
3-bromo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80554328
2,6-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80547895
2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-pyridine-4-carboxamide
CID 103806791
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)furan-3-carboxamide
CID 80554325
2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 43808436
2,4-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 43808455
5-chloro-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80547994
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-2-thiophen-2-ylacetamide
CID 80554562
N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
CID 70303028
2,2,3,3-tetramethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)cyclopropane-1-carboxamide
CID 80554406
1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrazole-3-carboxamide
CID 103117436

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-3-carboxamide?
The IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-3-carboxamide (CID 80554577) is N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-3-carboxamide?
The canonical SMILES for N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-3-carboxamide is O=C(Nc1cccc2c1CCNC2)c1ccsc1.
What is the InChIKey of N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-3-carboxamide?
The InChIKey is UVTCTIKWUDFSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c17-14(11-5-7-18-9-11)16-13-3-1-2-10-8-15-6-4-12(10)13/h1-3,5,7,9,15H,4,6,8H2,(H,16,17).
What are the key properties of N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-3-carboxamide?
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-3-carboxamide has a molecular weight of 258.35 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-3-carboxamide is sourced from PubChem (CID 80554577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).