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

C16H19N3OS — CID 104896578

IUPAC(3S)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCc1csc(C(C)NC(=O)[C@@H]2Cc3ccccc3CN2)n1
InChIInChI=1S/C16H19N3OS/c1-10-9-21-16(18-10)11(2)19-15(20)14-7-12-5-3-4-6-13(12)8-17-14/h3-6,9,11,14,17H,7-8H2,1-2H3,(H,19,20)/t11?,14-/m0/s1
InChIKeyZNPXMGIAENFUOT-IAXJKZSUSA-N
MW301.42 g/mol
LogP2.34
Rot. Bonds3

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

(3S)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 104896578) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is (3S)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID104896578
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name(3S)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCc1csc(C(C)NC(=O)[C@@H]2Cc3ccccc3CN2)n1
InChIInChI=1S/C16H19N3OS/c1-10-9-21-16(18-10)11(2)19-15(20)14-7-12-5-3-4-6-13(12)8-17-14/h3-6,9,11,14,17H,7-8H2,1-2H3,(H,19,20)/t11?,14-/m0/s1
InChIKeyZNPXMGIAENFUOT-IAXJKZSUSA-N
XLogP2.34
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107436715
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 63240238
(2R)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 113267552
N-[1-(5-methylfuran-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43703397
(3R)-N-(4-acetyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 64557137
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 78923912
(3R)-N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61154225
(3S)-N-(1-hydroxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896123
(3S)-N-(1,1-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896569
(3S)-N-[(2S)-1-(hydroxyamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 56663413
3-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)butanoic acid
CID 61162351
methyl (2S)-2-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)propanoate
CID 43709406

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (3S)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 104896578) is (3S)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (3S)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (3S)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is Cc1csc(C(C)NC(=O)[C@@H]2Cc3ccccc3CN2)n1.
What is the InChIKey of (3S)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is ZNPXMGIAENFUOT-IAXJKZSUSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-10-9-21-16(18-10)11(2)19-15(20)14-7-12-5-3-4-6-13(12)8-17-14/h3-6,9,11,14,17H,7-8H2,1-2H3,(H,19,20)/t11?,14-/m0/s1.
What are the key properties of (3S)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(3S)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 301.42 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 104896578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).