2-(1-methyltetrazol-5-yl)sulfanyl-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide

C15H19N7O2S — CID 17027703

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide
SMILESCc1nc(NC(=O)CSc2nnnn2C)nc2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C15H19N7O2S/c1-8-12-9(5-15(2,3)6-10(12)23)17-13(16-8)18-11(24)7-25-14-19-20-21-22(14)4/h5-7H2,1-4H3,(H,16,17,18,24)
InChIKeyKGTVTIVEXYKKRG-UHFFFAOYSA-N
MW361.43 g/mol
LogP1.19
Rot. Bonds4

About 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide

2-(1-methyltetrazol-5-yl)sulfanyl-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide (PubChem CID 17027703) has the molecular formula C15H19N7O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide
PubChem CID17027703
Molecular FormulaC15H19N7O2S
Molecular Weight361.43 g/mol
Exact Mass361.13
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide
SMILESCc1nc(NC(=O)CSc2nnnn2C)nc2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C15H19N7O2S/c1-8-12-9(5-15(2,3)6-10(12)23)17-13(16-8)18-11(24)7-25-14-19-20-21-22(14)4/h5-7H2,1-4H3,(H,16,17,18,24)
InChIKeyKGTVTIVEXYKKRG-UHFFFAOYSA-N
XLogP1.19
TPSA115.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-methyltetrazol-5-yl)sulfanyl-N-pyrimidin-2-ylacetamide
CID 1301816
N-(3-chloro-2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2391024
N-[3-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]phenyl]propanamide
CID 650332
2-(1-methyltetrazol-5-yl)sulfanyl-N-[7-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]naphthalen-2-yl]acetamide
CID 17325042
2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylphenyl)acetamide
CID 949151
N-[3,5-bis(trifluoromethyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 3507581
N-(2-ethylphenyl)-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]acetamide
CID 8594389
N-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-pyridin-2-ylsulfanylacetamide
CID 17198254
N-(4,6-dimethylpyrimidin-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 888613
N-(2,3-dihydro-1H-inden-5-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2479441
N-[4-(diethylamino)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 3615149
diethyl 2-methyl-5-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]furan-3,4-dicarboxylate
CID 4847449

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide (CID 17027703) is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide is Cc1nc(NC(=O)CSc2nnnn2C)nc2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide?
The InChIKey is KGTVTIVEXYKKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O2S/c1-8-12-9(5-15(2,3)6-10(12)23)17-13(16-8)18-11(24)7-25-14-19-20-21-22(14)4/h5-7H2,1-4H3,(H,16,17,18,24).
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide?
2-(1-methyltetrazol-5-yl)sulfanyl-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide has a molecular weight of 361.43 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide is sourced from PubChem (CID 17027703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).