N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-quinolin-8-ylacetamide

C19H21N3OS — CID 138038549

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-quinolin-8-ylacetamide
SMILESCc1nc(C)c(C(C)N(C)C(=O)Cc2cccc3cccnc23)s1
InChIInChI=1S/C19H21N3OS/c1-12-19(24-14(3)21-12)13(2)22(4)17(23)11-16-8-5-7-15-9-6-10-20-18(15)16/h5-10,13H,11H2,1-4H3
InChIKeyINIXRGDYFFWVJM-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.07
Rot. Bonds4

About N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-quinolin-8-ylacetamide

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-quinolin-8-ylacetamide (PubChem CID 138038549) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-quinolin-8-ylacetamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-quinolin-8-ylacetamide
PubChem CID138038549
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-quinolin-8-ylacetamide
SMILESCc1nc(C)c(C(C)N(C)C(=O)Cc2cccc3cccnc23)s1
InChIInChI=1S/C19H21N3OS/c1-12-19(24-14(3)21-12)13(2)22(4)17(23)11-16-8-5-7-15-9-6-10-20-18(15)16/h5-10,13H,11H2,1-4H3
InChIKeyINIXRGDYFFWVJM-UHFFFAOYSA-N
XLogP4.07
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 56782372
N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-quinolin-8-ylacetamide
CID 24666959
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 56782362
2-[2-methylpropyl-(2-quinolin-8-ylacetyl)amino]acetic acid
CID 120517304
ethyl 2-quinolin-8-ylacetate
CID 52562898
4-[3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylamino]-3-oxopropyl]benzoic acid
CID 119184527
N-[2-[methyl-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 71909366
3-(2-methyl-4-quinolin-8-yl-1,3-thiazol-5-yl)butanoic acid
CID 110447443
2-(quinolin-8-ylmethylamino)propanoic acid
CID 43467362
3-[methyl(quinolin-8-ylmethyl)amino]propanoic acid
CID 60987011
3-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylamino]methyl]benzoic acid
CID 122029038
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976019

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-quinolin-8-ylacetamide?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-quinolin-8-ylacetamide (CID 138038549) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-quinolin-8-ylacetamide.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-quinolin-8-ylacetamide?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-quinolin-8-ylacetamide is Cc1nc(C)c(C(C)N(C)C(=O)Cc2cccc3cccnc23)s1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-quinolin-8-ylacetamide?
The InChIKey is INIXRGDYFFWVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-12-19(24-14(3)21-12)13(2)22(4)17(23)11-16-8-5-7-15-9-6-10-20-18(15)16/h5-10,13H,11H2,1-4H3.
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-quinolin-8-ylacetamide?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-quinolin-8-ylacetamide has a molecular weight of 339.46 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-quinolin-8-ylacetamide is sourced from PubChem (CID 138038549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).