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

C15H17N3OS — CID 103814825

IUPACN-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
SMILESCc1cnc(CNC(=O)C2NCCc3ccccc32)s1
InChIInChI=1S/C15H17N3OS/c1-10-8-17-13(20-10)9-18-15(19)14-12-5-3-2-4-11(12)6-7-16-14/h2-5,8,14,16H,6-7,9H2,1H3,(H,18,19)
InChIKeyDFBTWQDWIQPDSV-UHFFFAOYSA-N
MW287.39 g/mol
LogP1.95
Rot. Bonds3

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

N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide (PubChem CID 103814825) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
PubChem CID103814825
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
SMILESCc1cnc(CNC(=O)C2NCCc3ccccc32)s1
InChIInChI=1S/C15H17N3OS/c1-10-8-17-13(20-10)9-18-15(19)14-12-5-3-2-4-11(12)6-7-16-14/h2-5,8,14,16H,6-7,9H2,1H3,(H,18,19)
InChIKeyDFBTWQDWIQPDSV-UHFFFAOYSA-N
XLogP1.95
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-methyl-3-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 62996110
N-[(3-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 63306571
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 111508356
N-(1-adamantylmethyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 59658239
ethyl 4-(1,2,3,4-tetrahydroisoquinoline-1-carbonylamino)butanoate
CID 64575997
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 103815072
(2R,3S)-1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 124607174
N-[2-ethyl-2-(hydroxymethyl)butyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 106255116
N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 79377573
N-(2-ethoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 114942362
N-[(1-hydroxycyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 65106578
N-[(1S)-1-pyridin-2-ylethyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 81392055

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The IUPAC name of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide (CID 103814825) is N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide.
What is the SMILES notation for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The canonical SMILES for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide is Cc1cnc(CNC(=O)C2NCCc3ccccc32)s1.
What is the InChIKey of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The InChIKey is DFBTWQDWIQPDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-10-8-17-13(20-10)9-18-15(19)14-12-5-3-2-4-11(12)6-7-16-14/h2-5,8,14,16H,6-7,9H2,1H3,(H,18,19).
What are the key properties of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide has a molecular weight of 287.39 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide is sourced from PubChem (CID 103814825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).