N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide

C26H25N3O2S2 — CID 42420994

IUPACN-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(-c2nc3cc(SC)ccc3cc2CN(C(=O)c2csc(C)n2)C2CC2)c1
InChIInChI=1S/C26H25N3O2S2/c1-16-27-24(15-33-16)26(30)29(20-8-9-20)14-19-11-17-7-10-22(32-3)13-23(17)28-25(19)18-5-4-6-21(12-18)31-2/h4-7,10-13,15,20H,8-9,14H2,1-3H3
InChIKeyUBCJAMCCIBQFLF-UHFFFAOYSA-N
MW475.64 g/mol
LogP6.20
Rot. Bonds7

About N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide

N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 42420994) has the molecular formula C26H25N3O2S2 and a molecular weight of 475.64 g/mol. Its IUPAC name is N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID42420994
Molecular FormulaC26H25N3O2S2
Molecular Weight475.64 g/mol
Exact Mass475.14
IUPAC NameN-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(-c2nc3cc(SC)ccc3cc2CN(C(=O)c2csc(C)n2)C2CC2)c1
InChIInChI=1S/C26H25N3O2S2/c1-16-27-24(15-33-16)26(30)29(20-8-9-20)14-19-11-17-7-10-22(32-3)13-23(17)28-25(19)18-5-4-6-21(12-18)31-2/h4-7,10-13,15,20H,8-9,14H2,1-3H3
InChIKeyUBCJAMCCIBQFLF-UHFFFAOYSA-N
XLogP6.20
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.64
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide
CID 42430371
N-(furan-2-ylmethyl)-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]propanamide
CID 25327123
N-cyclohexyl-N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 131941918
N-cyclopropyl-N-[[2-(2,3-dimethoxyphenyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 42420384
N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-3-methylthiophene-2-carboxamide
CID 42484022
N-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]thiophene-2-carboxamide
CID 42417365
N-[2-(dimethylamino)ethyl]-3-fluoro-N-[[2-(4-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]benzamide
CID 26339886
N-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]-1,3-thiazole-5-carboxamide
CID 42451188
N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-2-thiophen-3-ylacetamide
CID 42277304
N-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide
CID 42397899
N-[[6,7-dimethoxy-2-(3-methoxyphenyl)quinolin-3-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 42472762
N-[[6-(3-chlorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-N-(2-methoxyethyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 25465139

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide (CID 42420994) is N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide is COc1cccc(-c2nc3cc(SC)ccc3cc2CN(C(=O)c2csc(C)n2)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is UBCJAMCCIBQFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2S2/c1-16-27-24(15-33-16)26(30)29(20-8-9-20)14-19-11-17-7-10-22(32-3)13-23(17)28-25(19)18-5-4-6-21(12-18)31-2/h4-7,10-13,15,20H,8-9,14H2,1-3H3.
What are the key properties of N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide?
N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 475.64 g/mol, XLogP of 6.20, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42420994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).