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

C16H19N3OS — CID 103629909

IUPACN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCc1nc(CCNC(=O)C2Cc3ccccc3CN2)cs1
InChIInChI=1S/C16H19N3OS/c1-11-19-14(10-21-11)6-7-17-16(20)15-8-12-4-2-3-5-13(12)9-18-15/h2-5,10,15,18H,6-9H2,1H3,(H,17,20)
InChIKeyWOUCHGOPJXHREG-UHFFFAOYSA-N
MW301.42 g/mol
LogP1.82
Rot. Bonds4

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

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 103629909) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID103629909
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCc1nc(CCNC(=O)C2Cc3ccccc3CN2)cs1
InChIInChI=1S/C16H19N3OS/c1-11-19-14(10-21-11)6-7-17-16(20)15-8-12-4-2-3-5-13(12)9-18-15/h2-5,10,15,18H,6-9H2,1H3,(H,17,20)
InChIKeyWOUCHGOPJXHREG-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 63240238
N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride
CID 119842127
N-[2-(1H-imidazol-5-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 23378535
(3R)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106416281
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 103629888
(3R)-N-(2-pyridin-4-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61178668
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119841465
N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119270428
(3S)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 36821432
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119891860
(3R)-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61165563
(3R)-N-(2-pyridin-3-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61178129

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 103629909) is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is Cc1nc(CCNC(=O)C2Cc3ccccc3CN2)cs1.
What is the InChIKey of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is WOUCHGOPJXHREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-11-19-14(10-21-11)6-7-17-16(20)15-8-12-4-2-3-5-13(12)9-18-15/h2-5,10,15,18H,6-9H2,1H3,(H,17,20).
What are the key properties of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 301.42 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 103629909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).