methyl 4-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole-5-carboxylate

C16H18N2O2S — CID 115327986

IUPACmethyl 4-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(-c2ccc3c(c2)CCCN3C)nc1C
InChIInChI=1S/C16H18N2O2S/c1-10-14(16(19)20-3)21-15(17-10)12-6-7-13-11(9-12)5-4-8-18(13)2/h6-7,9H,4-5,8H2,1-3H3
InChIKeyNMILBENQXYUDOC-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.29
Rot. Bonds2

About methyl 4-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole-5-carboxylate

methyl 4-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole-5-carboxylate (PubChem CID 115327986) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is methyl 4-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole-5-carboxylate
PubChem CID115327986
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Namemethyl 4-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(-c2ccc3c(c2)CCCN3C)nc1C
InChIInChI=1S/C16H18N2O2S/c1-10-14(16(19)20-3)21-15(17-10)12-6-7-13-11(9-12)5-4-8-18(13)2/h6-7,9H,4-5,8H2,1-3H3
InChIKeyNMILBENQXYUDOC-UHFFFAOYSA-N
XLogP3.29
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole-4-carboxylic acid
CID 115422452
methyl 2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-5-carboxylate
CID 80573858
methyl 2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 115327916
methyl 4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxylate
CID 78916354
methyl 4-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxylate
CID 154752871
1-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]propan-2-one
CID 82540729
methyl 2-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 115350310
methyl 4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylate
CID 115327950
2-(6-methoxynaphthalen-2-yl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 59338509
methyl 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 67479596
2-(1-methyl-2,3-dihydroindol-5-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975813
fluoro 1-methyl-3,4-dihydro-2H-quinoline-6-carboxylate
CID 142338422

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole-5-carboxylate (CID 115327986) is methyl 4-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole-5-carboxylate is COC(=O)c1sc(-c2ccc3c(c2)CCCN3C)nc1C.
What is the InChIKey of methyl 4-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is NMILBENQXYUDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-10-14(16(19)20-3)21-15(17-10)12-6-7-13-11(9-12)5-4-8-18(13)2/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of methyl 4-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole-5-carboxylate?
methyl 4-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 302.40 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 115327986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).