N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide

C16H15N5O2S — CID 52898613

IUPACN-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)Nc1nnc(C2CCC2)s1
InChIInChI=1S/C16H15N5O2S/c22-13(18-16-20-19-14(24-16)10-4-3-5-10)8-21-9-17-12-7-2-1-6-11(12)15(21)23/h1-2,6-7,9-10H,3-5,8H2,(H,18,20,22)
InChIKeyHRACVMWVNFPJOL-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.15
Rot. Bonds4

About N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide

N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 52898613) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID52898613
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC NameN-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)Nc1nnc(C2CCC2)s1
InChIInChI=1S/C16H15N5O2S/c22-13(18-16-20-19-14(24-16)10-4-3-5-10)8-21-9-17-12-7-2-1-6-11(12)15(21)23/h1-2,6-7,9-10H,3-5,8H2,(H,18,20,22)
InChIKeyHRACVMWVNFPJOL-UHFFFAOYSA-N
XLogP2.15
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 51720272
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 32862972
N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 134711049
3-[[5-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpropanamide
CID 2219291
N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 4815745
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 110164098
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1-oxophthalazin-2-yl)acetamide
CID 46577030
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 11918031
N-(2-methylcyclohexyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2999724
N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 26177375
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 47017293
N-(2,3-dihydro-1H-inden-1-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 51273612

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide (CID 52898613) is N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide is O=C(Cn1cnc2ccccc2c1=O)Nc1nnc(C2CCC2)s1.
What is the InChIKey of N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is HRACVMWVNFPJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c22-13(18-16-20-19-14(24-16)10-4-3-5-10)8-21-9-17-12-7-2-1-6-11(12)15(21)23/h1-2,6-7,9-10H,3-5,8H2,(H,18,20,22).
What are the key properties of N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 341.40 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 52898613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).