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

C15H17N3OS — CID 106901391

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESCc1ncc(CNC(=O)C2CNc3ccccc3C2)s1
InChIInChI=1S/C15H17N3OS/c1-10-16-8-13(20-10)9-18-15(19)12-6-11-4-2-3-5-14(11)17-7-12/h2-5,8,12,17H,6-7,9H2,1H3,(H,18,19)
InChIKeyGSLQWPWYJQMZIA-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.35
Rot. Bonds3

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

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide (PubChem CID 106901391) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
PubChem CID106901391
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESCc1ncc(CNC(=O)C2CNc3ccccc3C2)s1
InChIInChI=1S/C15H17N3OS/c1-10-16-8-13(20-10)9-18-15(19)12-6-11-4-2-3-5-14(11)17-7-12/h2-5,8,12,17H,6-7,9H2,1H3,(H,18,19)
InChIKeyGSLQWPWYJQMZIA-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901620
N-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901469
N-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901428
N-(2-hydroxyethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901213
N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119861838
N-pent-3-ynyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901779
4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 63714175
N-(3-hydroxypentyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901745
1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 86825580
1-(benzenesulfonyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide
CID 86825596
N-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106135423
N-(2-cyclobutylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901730

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide (CID 106901391) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide is Cc1ncc(CNC(=O)C2CNc3ccccc3C2)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The InChIKey is GSLQWPWYJQMZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-10-16-8-13(20-10)9-18-15(19)12-6-11-4-2-3-5-14(11)17-7-12/h2-5,8,12,17H,6-7,9H2,1H3,(H,18,19).
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide has a molecular weight of 287.39 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 106901391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).