N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C14H15N3O2S — CID 106381202

IUPACN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESO=C(NCc1csc(=O)[nH]1)C1CNCc2ccccc21
InChIInChI=1S/C14H15N3O2S/c18-13(16-6-10-8-20-14(19)17-10)12-7-15-5-9-3-1-2-4-11(9)12/h1-4,8,12,15H,5-7H2,(H,16,18)(H,17,19)
InChIKeyDDYLORNHMKGQSO-UHFFFAOYSA-N
MW289.36 g/mol
LogP0.94
Rot. Bonds3

About N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 106381202) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID106381202
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESO=C(NCc1csc(=O)[nH]1)C1CNCc2ccccc21
InChIInChI=1S/C14H15N3O2S/c18-13(16-6-10-8-20-14(19)17-10)12-7-15-5-9-3-1-2-4-11(9)12/h1-4,8,12,15H,5-7H2,(H,16,18)(H,17,19)
InChIKeyDDYLORNHMKGQSO-UHFFFAOYSA-N
XLogP0.94
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide with MolForge

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262263
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106381310
N-prop-2-ynyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260647
N-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260988
N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260690
N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260981
N-(cyclobutylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260937
N-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 106175930
N-[(1-hydroxycyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262406
2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)ethyl carbamate
CID 83210191
5-oxo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperazine-2-carboxamide
CID 106381374
N-(5-amino-5-oxopentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 106236142

Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 106381202) is N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is O=C(NCc1csc(=O)[nH]1)C1CNCc2ccccc21.
What is the InChIKey of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is DDYLORNHMKGQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c18-13(16-6-10-8-20-14(19)17-10)12-7-15-5-9-3-1-2-4-11(9)12/h1-4,8,12,15H,5-7H2,(H,16,18)(H,17,19).
What are the key properties of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 106381202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).