N-(7-methoxy-1,3-benzothiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide

C18H17N3O2S — CID 166343195

IUPACN-(7-methoxy-1,3-benzothiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
SMILESCOc1cccc2nc(NC(=O)c3cccc4c3CNCC4)sc12
InChIInChI=1S/C18H17N3O2S/c1-23-15-7-3-6-14-16(15)24-18(20-14)21-17(22)12-5-2-4-11-8-9-19-10-13(11)12/h2-7,19H,8-10H2,1H3,(H,20,21,22)
InChIKeyQKHYFAQMHOOHDU-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.20
Rot. Bonds3

About N-(7-methoxy-1,3-benzothiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide

N-(7-methoxy-1,3-benzothiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide (PubChem CID 166343195) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(7-methoxy-1,3-benzothiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide.

Molecular Properties

Compound NameN-(7-methoxy-1,3-benzothiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
PubChem CID166343195
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-(7-methoxy-1,3-benzothiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
SMILESCOc1cccc2nc(NC(=O)c3cccc4c3CNCC4)sc12
InChIInChI=1S/C18H17N3O2S/c1-23-15-7-3-6-14-16(15)24-18(20-14)21-17(22)12-5-2-4-11-8-9-19-10-13(11)12/h2-7,19H,8-10H2,1H3,(H,20,21,22)
InChIKeyQKHYFAQMHOOHDU-UHFFFAOYSA-N
XLogP3.20
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(7-methoxy-1,3-benzothiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide with MolForge

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Related Compounds

methyl 1,2,3,4-tetrahydroisoquinoline-8-carboxylate
CID 45074001
N-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557860
2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 43808436
N-(3-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
CID 110489199
phenyl N-(7-methoxy-1,3-benzothiazol-2-yl)carbamate
CID 121004815
N-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557960
2-methoxy-5-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 62505797
2-benzamido-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 35871813
2-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5107128
methyl 2-[(4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 43952140
2-ethoxy-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 43593369
N-[5-[(2-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 25012041

Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-1,3-benzothiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide?
The IUPAC name of N-(7-methoxy-1,3-benzothiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide (CID 166343195) is N-(7-methoxy-1,3-benzothiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide.
What is the SMILES notation for N-(7-methoxy-1,3-benzothiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide?
The canonical SMILES for N-(7-methoxy-1,3-benzothiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide is COc1cccc2nc(NC(=O)c3cccc4c3CNCC4)sc12.
What is the InChIKey of N-(7-methoxy-1,3-benzothiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide?
The InChIKey is QKHYFAQMHOOHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-23-15-7-3-6-14-16(15)24-18(20-14)21-17(22)12-5-2-4-11-8-9-19-10-13(11)12/h2-7,19H,8-10H2,1H3,(H,20,21,22).
What are the key properties of N-(7-methoxy-1,3-benzothiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide?
N-(7-methoxy-1,3-benzothiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxy-1,3-benzothiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide is sourced from PubChem (CID 166343195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).