N,2,7,8-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-4-carboxamide

C20H23N3OS — CID 70747283

IUPACN,2,7,8-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)N(C)CCc2scnc2C)c2ccc(C)c(C)c2n1
InChIInChI=1S/C20H23N3OS/c1-12-6-7-16-17(10-13(2)22-19(16)14(12)3)20(24)23(5)9-8-18-15(4)21-11-25-18/h6-7,10-11H,8-9H2,1-5H3
InChIKeyYKUDQETWSDGFBD-UHFFFAOYSA-N
MW353.49 g/mol
LogP4.24
Rot. Bonds4

About N,2,7,8-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-4-carboxamide

N,2,7,8-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-4-carboxamide (PubChem CID 70747283) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is N,2,7,8-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN,2,7,8-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-4-carboxamide
PubChem CID70747283
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC NameN,2,7,8-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)N(C)CCc2scnc2C)c2ccc(C)c(C)c2n1
InChIInChI=1S/C20H23N3OS/c1-12-6-7-16-17(10-13(2)22-19(16)14(12)3)20(24)23(5)9-8-18-15(4)21-11-25-18/h6-7,10-11H,8-9H2,1-5H3
InChIKeyYKUDQETWSDGFBD-UHFFFAOYSA-N
XLogP4.24
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3-benzothiazole-6-carboxamide
CID 56910295
2,7,8-trimethylquinoline-4-carboxamide
CID 82574045
2-(2-aminoethoxy)-4-methoxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 118779229
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 56738833
2-tert-butyl-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 70729016
N-methyl-4-(6-methylpyridazin-3-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 119067344
2-hydroxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(tetrazol-1-yl)benzamide
CID 56902749
N,2,8-trimethyl-N-[(4-methylthiadiazol-5-yl)methyl]quinoline-4-carboxamide
CID 46994897
N,7,8-trimethyl-2-(2-propan-2-ylpyrimidin-5-yl)-N-propylquinoline-4-carboxamide
CID 46989303
N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2,7,8-trimethylquinoline-4-carboxamide
CID 133116951
2-(4-fluorophenyl)-N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-imidazole-4-carboxamide
CID 146038181
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanamide
CID 95202696

Frequently Asked Questions

What is the IUPAC name of N,2,7,8-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-4-carboxamide?
The IUPAC name of N,2,7,8-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-4-carboxamide (CID 70747283) is N,2,7,8-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for N,2,7,8-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for N,2,7,8-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-4-carboxamide is Cc1cc(C(=O)N(C)CCc2scnc2C)c2ccc(C)c(C)c2n1.
What is the InChIKey of N,2,7,8-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-4-carboxamide?
The InChIKey is YKUDQETWSDGFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-12-6-7-16-17(10-13(2)22-19(16)14(12)3)20(24)23(5)9-8-18-15(4)21-11-25-18/h6-7,10-11H,8-9H2,1-5H3.
What are the key properties of N,2,7,8-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-4-carboxamide?
N,2,7,8-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-4-carboxamide has a molecular weight of 353.49 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,7,8-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 70747283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).