N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C16H19N3OS — CID 103814858

IUPACN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCCc1cnc(CNC(=O)C2Cc3ccccc3CN2)s1
InChIInChI=1S/C16H19N3OS/c1-2-13-9-18-15(21-13)10-19-16(20)14-7-11-5-3-4-6-12(11)8-17-14/h3-6,9,14,17H,2,7-8,10H2,1H3,(H,19,20)
InChIKeyOHESNJHZSBUOST-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.04
Rot. Bonds4

About N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 103814858) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID103814858
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCCc1cnc(CNC(=O)C2Cc3ccccc3CN2)s1
InChIInChI=1S/C16H19N3OS/c1-2-13-9-18-15(21-13)10-19-16(20)14-7-11-5-3-4-6-12(11)8-17-14/h3-6,9,14,17H,2,7-8,10H2,1H3,(H,19,20)
InChIKeyOHESNJHZSBUOST-UHFFFAOYSA-N
XLogP2.04
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 103814867
(3R)-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61165563
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119891860
(3S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 107641825
(3R)-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 28529670
methyl 2-[4-[(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)methyl]phenyl]acetate
CID 58622398
(3R)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61163280
(3S)-N-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 44663666
N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119270632
(3R)-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104874033
N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24699121
N-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24705541

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 103814858) is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is CCc1cnc(CNC(=O)C2Cc3ccccc3CN2)s1.
What is the InChIKey of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is OHESNJHZSBUOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-2-13-9-18-15(21-13)10-19-16(20)14-7-11-5-3-4-6-12(11)8-17-14/h3-6,9,14,17H,2,7-8,10H2,1H3,(H,19,20).
What are the key properties of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 301.42 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 103814858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).