ethyl 5-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]thiadiazole-4-carboxylate

C17H17N5O4S — CID 55671104

IUPACethyl 5-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]thiadiazole-4-carboxylate
SMILESCCOC(=O)c1nnsc1NC(=O)CCn1cnc2c(C)cccc2c1=O
InChIInChI=1S/C17H17N5O4S/c1-3-26-17(25)14-15(27-21-20-14)19-12(23)7-8-22-9-18-13-10(2)5-4-6-11(13)16(22)24/h4-6,9H,3,7-8H2,1-2H3,(H,19,23)
InChIKeyOMWKLFVTZSHTIT-UHFFFAOYSA-N
MW387.42 g/mol
LogP1.76
Rot. Bonds6

About ethyl 5-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]thiadiazole-4-carboxylate

ethyl 5-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]thiadiazole-4-carboxylate (PubChem CID 55671104) has the molecular formula C17H17N5O4S and a molecular weight of 387.42 g/mol. Its IUPAC name is ethyl 5-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]thiadiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]thiadiazole-4-carboxylate
PubChem CID55671104
Molecular FormulaC17H17N5O4S
Molecular Weight387.42 g/mol
Exact Mass387.10
IUPAC Nameethyl 5-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]thiadiazole-4-carboxylate
SMILESCCOC(=O)c1nnsc1NC(=O)CCn1cnc2c(C)cccc2c1=O
InChIInChI=1S/C17H17N5O4S/c1-3-26-17(25)14-15(27-21-20-14)19-12(23)7-8-22-9-18-13-10(2)5-4-6-11(13)16(22)24/h4-6,9H,3,7-8H2,1-2H3,(H,19,23)
InChIKeyOMWKLFVTZSHTIT-UHFFFAOYSA-N
XLogP1.76
TPSA116.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

methyl 4,5-dimethyl-2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]thiophene-3-carboxylate
CID 27146774
ethyl 5-[3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]thiadiazole-4-carboxylate
CID 55642986
N-(3-cyanothiophen-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 27134373
N-[2-(4-ethoxyphenoxy)ethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 24559975
N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 43049163
N-(2,3-dichlorophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 27147913
2-methyl-N-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]propanamide
CID 27146491
N,N-diethyl-4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]benzamide
CID 39723808
methyl 4,5-dimethoxy-2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]benzoate
CID 27133646
diethyl 2-[4-(8-methyl-4-oxoquinazolin-3-yl)butanoylamino]propanedioate
CID 33254183
(2-anilino-2-oxoethyl) 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
CID 33486113
N-(5-acetamido-2-methylphenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 46463322

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]thiadiazole-4-carboxylate?
The IUPAC name of ethyl 5-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]thiadiazole-4-carboxylate (CID 55671104) is ethyl 5-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]thiadiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]thiadiazole-4-carboxylate?
The canonical SMILES for ethyl 5-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]thiadiazole-4-carboxylate is CCOC(=O)c1nnsc1NC(=O)CCn1cnc2c(C)cccc2c1=O.
What is the InChIKey of ethyl 5-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]thiadiazole-4-carboxylate?
The InChIKey is OMWKLFVTZSHTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4S/c1-3-26-17(25)14-15(27-21-20-14)19-12(23)7-8-22-9-18-13-10(2)5-4-6-11(13)16(22)24/h4-6,9H,3,7-8H2,1-2H3,(H,19,23).
What are the key properties of ethyl 5-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]thiadiazole-4-carboxylate?
ethyl 5-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]thiadiazole-4-carboxylate has a molecular weight of 387.42 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]thiadiazole-4-carboxylate is sourced from PubChem (CID 55671104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).