N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide

C15H15N5O3S — CID 134711049

IUPACN-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCOC(C)c1nnc(NC(=O)Cn2cnc3ccccc3c2=O)s1
InChIInChI=1S/C15H15N5O3S/c1-9(23-2)13-18-19-15(24-13)17-12(21)7-20-8-16-11-6-4-3-5-10(11)14(20)22/h3-6,8-9H,7H2,1-2H3,(H,17,19,21)
InChIKeySQKSACCSSUYMTB-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.59
Rot. Bonds5

About N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide

N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 134711049) has the molecular formula C15H15N5O3S and a molecular weight of 345.38 g/mol. Its IUPAC name is N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID134711049
Molecular FormulaC15H15N5O3S
Molecular Weight345.38 g/mol
Exact Mass345.09
IUPAC NameN-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCOC(C)c1nnc(NC(=O)Cn2cnc3ccccc3c2=O)s1
InChIInChI=1S/C15H15N5O3S/c1-9(23-2)13-18-19-15(24-13)17-12(21)7-20-8-16-11-6-4-3-5-10(11)14(20)22/h3-6,8-9H,7H2,1-2H3,(H,17,19,21)
InChIKeySQKSACCSSUYMTB-UHFFFAOYSA-N
XLogP1.59
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 2972106
N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 52898613
2-(4-oxoquinazolin-3-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 17450612
3-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
CID 33026865
2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 42119047
ethyl 2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
CID 51146279
N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 51720272
3-[[5-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpropanamide
CID 2219291
N-(2-methylsulfanylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 4808995
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2701434
2-(2-cyclopropylbenzimidazol-1-yl)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 134699026
2-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 7741631

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide (CID 134711049) is N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide is COC(C)c1nnc(NC(=O)Cn2cnc3ccccc3c2=O)s1.
What is the InChIKey of N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is SQKSACCSSUYMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S/c1-9(23-2)13-18-19-15(24-13)17-12(21)7-20-8-16-11-6-4-3-5-10(11)14(20)22/h3-6,8-9H,7H2,1-2H3,(H,17,19,21).
What are the key properties of N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide?
N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 345.38 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 134711049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).