N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide

C15H17N3OS — CID 61285006

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESCc1nc(CNC(=O)c2ccc3c(c2)CCCN3)cs1
InChIInChI=1S/C15H17N3OS/c1-10-18-13(9-20-10)8-17-15(19)12-4-5-14-11(7-12)3-2-6-16-14/h4-5,7,9,16H,2-3,6,8H2,1H3,(H,17,19)
InChIKeyYZIAMQUSXMIJIS-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.74
Rot. Bonds3

About N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide (PubChem CID 61285006) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
PubChem CID61285006
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESCc1nc(CNC(=O)c2ccc3c(c2)CCCN3)cs1
InChIInChI=1S/C15H17N3OS/c1-10-18-13(9-20-10)8-17-15(19)12-4-5-14-11(7-12)3-2-6-16-14/h4-5,7,9,16H,2-3,6,8H2,1H3,(H,17,19)
InChIKeyYZIAMQUSXMIJIS-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-thiazol-4-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 63825530
N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61284513
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-6-carboxamide
CID 47290936
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61003653
N-[(5-bromopyrazin-2-yl)methyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-7-carboxamide
CID 166416128
N-(1,2,4-oxadiazol-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106397173
N-[(2-methoxy-4-pyridinyl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 142859474
3-amino-4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 61282063
N-(4,6-dimethylpyrimidin-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325681
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 113257333
2,2-dimethyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 115427981
N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 60926593

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide (CID 61285006) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide is Cc1nc(CNC(=O)c2ccc3c(c2)CCCN3)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The InChIKey is YZIAMQUSXMIJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-10-18-13(9-20-10)8-17-15(19)12-4-5-14-11(7-12)3-2-6-16-14/h4-5,7,9,16H,2-3,6,8H2,1H3,(H,17,19).
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide has a molecular weight of 287.39 g/mol, XLogP of 2.74, 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-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide is sourced from PubChem (CID 61285006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).