3-methyl-5-(methylamino)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1,2-thiazole-4-carboxamide

C17H22N4OS — CID 71881904

IUPAC3-methyl-5-(methylamino)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)NCc1ccc2c(c1)CCCN2C
InChIInChI=1S/C17H22N4OS/c1-11-15(17(18-2)23-20-11)16(22)19-10-12-6-7-14-13(9-12)5-4-8-21(14)3/h6-7,9,18H,4-5,8,10H2,1-3H3,(H,19,22)
InChIKeyMXEHJLWJWUWDCV-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.81
Rot. Bonds4

About 3-methyl-5-(methylamino)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1,2-thiazole-4-carboxamide

3-methyl-5-(methylamino)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1,2-thiazole-4-carboxamide (PubChem CID 71881904) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 3-methyl-5-(methylamino)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-5-(methylamino)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1,2-thiazole-4-carboxamide
PubChem CID71881904
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name3-methyl-5-(methylamino)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)NCc1ccc2c(c1)CCCN2C
InChIInChI=1S/C17H22N4OS/c1-11-15(17(18-2)23-20-11)16(22)19-10-12-6-7-14-13(9-12)5-4-8-21(14)3/h6-7,9,18H,4-5,8,10H2,1-3H3,(H,19,22)
InChIKeyMXEHJLWJWUWDCV-UHFFFAOYSA-N
XLogP2.81
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-5-(methylamino)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1,2-thiazole-4-carboxamide with MolForge

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 34660130
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide
CID 51099812
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51099822
1,1-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea
CID 110478717
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-5-nitrofuran-2-carboxamide
CID 71935383
ethyl N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]carbamate
CID 110479362
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]furan-2-carboxamide
CID 110481071
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-N'-(3-pyridin-2-yl-1,2-thiazol-5-yl)oxamide
CID 167830583
3-methyl-5-(methylamino)-N-[(1-phenylpyrazol-4-yl)methyl]-1,2-thiazole-4-carboxamide
CID 42044523
3-methyl-5-(methylamino)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,2-thiazole-4-carboxamide
CID 38544423
1,2-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine;hydroiodide
CID 110916628
3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide
CID 51099820

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(methylamino)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-methyl-5-(methylamino)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1,2-thiazole-4-carboxamide (CID 71881904) is 3-methyl-5-(methylamino)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-methyl-5-(methylamino)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-methyl-5-(methylamino)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1,2-thiazole-4-carboxamide is CNc1snc(C)c1C(=O)NCc1ccc2c(c1)CCCN2C.
What is the InChIKey of 3-methyl-5-(methylamino)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1,2-thiazole-4-carboxamide?
The InChIKey is MXEHJLWJWUWDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-11-15(17(18-2)23-20-11)16(22)19-10-12-6-7-14-13(9-12)5-4-8-21(14)3/h6-7,9,18H,4-5,8,10H2,1-3H3,(H,19,22).
What are the key properties of 3-methyl-5-(methylamino)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1,2-thiazole-4-carboxamide?
3-methyl-5-(methylamino)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1,2-thiazole-4-carboxamide has a molecular weight of 330.46 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(methylamino)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 71881904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).