N-(5-methyl-1,2-oxazol-3-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide

C18H14N4O2S2 — CID 2567379

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2nc(-c3cccs3)nc3ccccc23)no1
InChIInChI=1S/C18H14N4O2S2/c1-11-9-15(22-24-11)20-16(23)10-26-18-12-5-2-3-6-13(12)19-17(21-18)14-7-4-8-25-14/h2-9H,10H2,1H3,(H,20,22,23)
InChIKeyVFGXSZFSAGZFAN-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.39
Rot. Bonds5

About N-(5-methyl-1,2-oxazol-3-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide (PubChem CID 2567379) has the molecular formula C18H14N4O2S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
PubChem CID2567379
Molecular FormulaC18H14N4O2S2
Molecular Weight382.47 g/mol
Exact Mass382.06
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2nc(-c3cccs3)nc3ccccc23)no1
InChIInChI=1S/C18H14N4O2S2/c1-11-9-15(22-24-11)20-16(23)10-26-18-12-5-2-3-6-13(12)19-17(21-18)14-7-4-8-25-14/h2-9H,10H2,1H3,(H,20,22,23)
InChIKeyVFGXSZFSAGZFAN-UHFFFAOYSA-N
XLogP4.39
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-methylisoxazol-3-yl)-2-(4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-ylthio)acetamide
CID 656360
2-(3,7-Dimethyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 1176129
2-(3-Cyano-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 1433850
2-[2-(2-Cyclopentyl-ethyl)-quinazolin-4-ylsulfanyl]-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 651643
N-(5-Methyl-isoxazol-3-yl)-2-(2-propyl-quinazolin-4-ylsulfanyl)-acetamide
CID 653552
N-(5-Methyl-isoxazol-3-yl)-2-(2,5,6-trimethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-acetamide
CID 653561
N-(5-methyl-3-isoxazolyl)-2-[(2-propan-2-yl-4-quinazolinyl)thio]acetamide
CID 1442803
2-(2-Cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 1466867
N-(5-methyl-1,2-oxazol-3-yl)-2-quinazolin-4-ylsulfanylacetamide
CID 2607885
N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
CID 2612492
2-(2-Isopropyl-7-methyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 3200141
2-(3-Ethyl-6-methyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 3208003

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide (CID 2567379) is N-(5-methyl-1,2-oxazol-3-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide is Cc1cc(NC(=O)CSc2nc(-c3cccs3)nc3ccccc23)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide?
The InChIKey is VFGXSZFSAGZFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S2/c1-11-9-15(22-24-11)20-16(23)10-26-18-12-5-2-3-6-13(12)19-17(21-18)14-7-4-8-25-14/h2-9H,10H2,1H3,(H,20,22,23).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide has a molecular weight of 382.47 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 2567379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).