N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide

C20H17N5O2S — CID 39776818

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
SMILESCCc1nnc(NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)s1
InChIInChI=1S/C20H17N5O2S/c1-3-17-23-24-20(28-17)22-18(26)13-8-10-14(11-9-13)25-12(2)21-16-7-5-4-6-15(16)19(25)27/h4-11H,3H2,1-2H3,(H,22,24,26)
InChIKeyNEOJRAYNDMOSIB-UHFFFAOYSA-N
MW391.46 g/mol
LogP3.36
Rot. Bonds4

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide (PubChem CID 39776818) has the molecular formula C20H17N5O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
PubChem CID39776818
Molecular FormulaC20H17N5O2S
Molecular Weight391.46 g/mol
Exact Mass391.11
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
SMILESCCc1nnc(NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)s1
InChIInChI=1S/C20H17N5O2S/c1-3-17-23-24-20(28-17)22-18(26)13-8-10-14(11-9-13)25-12(2)21-16-7-5-4-6-15(16)19(25)27/h4-11H,3H2,1-2H3,(H,22,24,26)
InChIKeyNEOJRAYNDMOSIB-UHFFFAOYSA-N
XLogP3.36
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-methyl-4-oxoquinazolin-3-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32624561
4-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294843
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 39795631
2-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]benzamide
CID 9399217
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 60520102
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide
CID 745401
methyl 3-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]thiophene-2-carboxylate
CID 36670505
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 39777242
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 39776766
ethyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
CID 744635
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 55365598
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 39218858

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide (CID 39776818) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide is CCc1nnc(NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The InChIKey is NEOJRAYNDMOSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S/c1-3-17-23-24-20(28-17)22-18(26)13-8-10-14(11-9-13)25-12(2)21-16-7-5-4-6-15(16)19(25)27/h4-11H,3H2,1-2H3,(H,22,24,26).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide has a molecular weight of 391.46 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide is sourced from PubChem (CID 39776818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).