2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)acetamide

C13H13N5O2S2 — CID 665464

IUPAC2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)acetamide
SMILESCc1nnc(SCC(=O)Nc2ncc3c(n2)CCCC3=O)s1
InChIInChI=1S/C13H13N5O2S2/c1-7-17-18-13(22-7)21-6-11(20)16-12-14-5-8-9(15-12)3-2-4-10(8)19/h5H,2-4,6H2,1H3,(H,14,15,16,20)
InChIKeyGZLAVLBWDQTQTG-UHFFFAOYSA-N
MW335.41 g/mol
LogP1.89
Rot. Bonds4

About 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)acetamide

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)acetamide (PubChem CID 665464) has the molecular formula C13H13N5O2S2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)acetamide.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)acetamide
PubChem CID665464
Molecular FormulaC13H13N5O2S2
Molecular Weight335.41 g/mol
Exact Mass335.05
IUPAC Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)acetamide
SMILESCc1nnc(SCC(=O)Nc2ncc3c(n2)CCCC3=O)s1
InChIInChI=1S/C13H13N5O2S2/c1-7-17-18-13(22-7)21-6-11(20)16-12-14-5-8-9(15-12)3-2-4-10(8)19/h5H,2-4,6H2,1H3,(H,14,15,16,20)
InChIKeyGZLAVLBWDQTQTG-UHFFFAOYSA-N
XLogP1.89
TPSA97.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-Oxo-2-[(5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)amino]ethyl piperidine-1-carbodithioate
CID 1996421
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide
CID 4328979
2-Oxo-2-[(5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)amino]ethyl morpholine-4-carbodithioate
CID 2015259
N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 1844484
2-Oxo-2-[(5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)amino]ethyl diethylcarbamodithioate
CID 3896874
2-[(7,7-Dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)amino]-2-oxoethyl piperidine-1-carbodithioate
CID 2013996
2-[(7,7-Dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)amino]-2-oxoethyl diethylcarbamodithioate
CID 4005131
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide
CID 666505
2-(methylsulfanyl)-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
CID 1847344
2-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methylsulfanyl]-7,8-dihydro-6H-quinazolin-5-one
CID 166247008
Methyl [(8-oxo-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-2-yl)sulfanyl]acetate
CID 1833599
2-(ethylthio)-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
CID 16490476

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)acetamide?
The IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)acetamide (CID 665464) is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)acetamide.
What is the SMILES notation for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)acetamide?
The canonical SMILES for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)acetamide is Cc1nnc(SCC(=O)Nc2ncc3c(n2)CCCC3=O)s1.
What is the InChIKey of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)acetamide?
The InChIKey is GZLAVLBWDQTQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2S2/c1-7-17-18-13(22-7)21-6-11(20)16-12-14-5-8-9(15-12)3-2-4-10(8)19/h5H,2-4,6H2,1H3,(H,14,15,16,20).
What are the key properties of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)acetamide?
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)acetamide has a molecular weight of 335.41 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)acetamide is sourced from PubChem (CID 665464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).