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

C16H19N3OS — CID 119891860

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCc1nc(C)c(CNC(=O)C2Cc3ccccc3CN2)s1
InChIInChI=1S/C16H19N3OS/c1-10-15(21-11(2)19-10)9-18-16(20)14-7-12-5-3-4-6-13(12)8-17-14/h3-6,14,17H,7-9H2,1-2H3,(H,18,20)
InChIKeyUAKYPDATFQGUQW-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.09
Rot. Bonds3

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

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 119891860) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID119891860
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCc1nc(C)c(CNC(=O)C2Cc3ccccc3CN2)s1
InChIInChI=1S/C16H19N3OS/c1-10-15(21-11(2)19-10)9-18-16(20)14-7-12-5-3-4-6-13(12)8-17-14/h3-6,14,17H,7-9H2,1-2H3,(H,18,20)
InChIKeyUAKYPDATFQGUQW-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2,4-dimethyl-1,3-thiazol-5-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

(3R)-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61165563
(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
(3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 97324893
N-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24705541
(3R)-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 28529670
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 119891916
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103814858
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103629909
(3R)-N-[(1-methylpyrrol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106390750
(3S)-N-[(1-methylpyrrol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106390769

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 119891860) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is Cc1nc(C)c(CNC(=O)C2Cc3ccccc3CN2)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is UAKYPDATFQGUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-10-15(21-11(2)19-10)9-18-16(20)14-7-12-5-3-4-6-13(12)8-17-14/h3-6,14,17H,7-9H2,1-2H3,(H,18,20).
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 301.42 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 119891860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).