2-methylpropyl 4-methyl-2-[3-(4-methyl-2-oxoquinolin-1-yl)propanoylamino]-1,3-thiazole-5-carboxylate

C22H25N3O4S — CID 39764131

IUPAC2-methylpropyl 4-methyl-2-[3-(4-methyl-2-oxoquinolin-1-yl)propanoylamino]-1,3-thiazole-5-carboxylate
SMILESCc1nc(NC(=O)CCn2c(=O)cc(C)c3ccccc32)sc1C(=O)OCC(C)C
InChIInChI=1S/C22H25N3O4S/c1-13(2)12-29-21(28)20-15(4)23-22(30-20)24-18(26)9-10-25-17-8-6-5-7-16(17)14(3)11-19(25)27/h5-8,11,13H,9-10,12H2,1-4H3,(H,23,24,26)
InChIKeyNDNBFLSNFJSKSN-UHFFFAOYSA-N
MW427.53 g/mol
LogP3.92
Rot. Bonds7

About 2-methylpropyl 4-methyl-2-[3-(4-methyl-2-oxoquinolin-1-yl)propanoylamino]-1,3-thiazole-5-carboxylate

2-methylpropyl 4-methyl-2-[3-(4-methyl-2-oxoquinolin-1-yl)propanoylamino]-1,3-thiazole-5-carboxylate (PubChem CID 39764131) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is 2-methylpropyl 4-methyl-2-[3-(4-methyl-2-oxoquinolin-1-yl)propanoylamino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-methyl-2-[3-(4-methyl-2-oxoquinolin-1-yl)propanoylamino]-1,3-thiazole-5-carboxylate
PubChem CID39764131
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC Name2-methylpropyl 4-methyl-2-[3-(4-methyl-2-oxoquinolin-1-yl)propanoylamino]-1,3-thiazole-5-carboxylate
SMILESCc1nc(NC(=O)CCn2c(=O)cc(C)c3ccccc32)sc1C(=O)OCC(C)C
InChIInChI=1S/C22H25N3O4S/c1-13(2)12-29-21(28)20-15(4)23-22(30-20)24-18(26)9-10-25-17-8-6-5-7-16(17)14(3)11-19(25)27/h5-8,11,13H,9-10,12H2,1-4H3,(H,23,24,26)
InChIKeyNDNBFLSNFJSKSN-UHFFFAOYSA-N
XLogP3.92
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methylpropyl 4-methyl-2-[3-(4-methyl-2-oxoquinolin-1-yl)propanoylamino]-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

2-methylpropyl 2-[6-(1,3-dioxoisoindol-2-yl)hexanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3349096
prop-2-enyl 2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 108794819
ethyl 4-methyl-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 6615144
3-(4-methyl-2-oxoquinolin-1-yl)-N-phenylpropanamide
CID 39763922
2-methylpropyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 4501714
2-methylpropyl 4-methyl-2-(pent-4-ynoylamino)-1,3-thiazole-5-carboxylate
CID 82363233
2-methylpropyl 2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 84571976
N-(2-ethylphenyl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide
CID 39763926
N-(2,6-diethylphenyl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide
CID 39763943
2-methylpropyl 2-[[2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 84572830
N-(2,4-dimethoxyphenyl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide
CID 39763982
2-methylpropyl 2-[[2-(4-formylphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 23410765

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-methyl-2-[3-(4-methyl-2-oxoquinolin-1-yl)propanoylamino]-1,3-thiazole-5-carboxylate?
The IUPAC name of 2-methylpropyl 4-methyl-2-[3-(4-methyl-2-oxoquinolin-1-yl)propanoylamino]-1,3-thiazole-5-carboxylate (CID 39764131) is 2-methylpropyl 4-methyl-2-[3-(4-methyl-2-oxoquinolin-1-yl)propanoylamino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-methyl-2-[3-(4-methyl-2-oxoquinolin-1-yl)propanoylamino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for 2-methylpropyl 4-methyl-2-[3-(4-methyl-2-oxoquinolin-1-yl)propanoylamino]-1,3-thiazole-5-carboxylate is Cc1nc(NC(=O)CCn2c(=O)cc(C)c3ccccc32)sc1C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 4-methyl-2-[3-(4-methyl-2-oxoquinolin-1-yl)propanoylamino]-1,3-thiazole-5-carboxylate?
The InChIKey is NDNBFLSNFJSKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-13(2)12-29-21(28)20-15(4)23-22(30-20)24-18(26)9-10-25-17-8-6-5-7-16(17)14(3)11-19(25)27/h5-8,11,13H,9-10,12H2,1-4H3,(H,23,24,26).
What are the key properties of 2-methylpropyl 4-methyl-2-[3-(4-methyl-2-oxoquinolin-1-yl)propanoylamino]-1,3-thiazole-5-carboxylate?
2-methylpropyl 4-methyl-2-[3-(4-methyl-2-oxoquinolin-1-yl)propanoylamino]-1,3-thiazole-5-carboxylate has a molecular weight of 427.53 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-methyl-2-[3-(4-methyl-2-oxoquinolin-1-yl)propanoylamino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 39764131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).