N-(3-cyanothiophen-2-yl)-2-quinazolin-4-ylsulfanylacetamide

C15H10N4OS2 — CID 2369720

IUPACN-(3-cyanothiophen-2-yl)-2-quinazolin-4-ylsulfanylacetamide
SMILESN#Cc1ccsc1NC(=O)CSc1ncnc2ccccc12
InChIInChI=1S/C15H10N4OS2/c16-7-10-5-6-21-14(10)19-13(20)8-22-15-11-3-1-2-4-12(11)17-9-18-15/h1-6,9H,8H2,(H,19,20)
InChIKeyGWSPDRQXIXPBRK-UHFFFAOYSA-N
MW326.41 g/mol
LogP3.29
Rot. Bonds4

About N-(3-cyanothiophen-2-yl)-2-quinazolin-4-ylsulfanylacetamide

N-(3-cyanothiophen-2-yl)-2-quinazolin-4-ylsulfanylacetamide (PubChem CID 2369720) has the molecular formula C15H10N4OS2 and a molecular weight of 326.41 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-quinazolin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-quinazolin-4-ylsulfanylacetamide
PubChem CID2369720
Molecular FormulaC15H10N4OS2
Molecular Weight326.41 g/mol
Exact Mass326.03
IUPAC NameN-(3-cyanothiophen-2-yl)-2-quinazolin-4-ylsulfanylacetamide
SMILESN#Cc1ccsc1NC(=O)CSc1ncnc2ccccc12
InChIInChI=1S/C15H10N4OS2/c16-7-10-5-6-21-14(10)19-13(20)8-22-15-11-3-1-2-4-12(11)17-9-18-15/h1-6,9H,8H2,(H,19,20)
InChIKeyGWSPDRQXIXPBRK-UHFFFAOYSA-N
XLogP3.29
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-quinazolin-4-ylsulfanylacetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-quinazolin-4-ylsulfanylacetamide (CID 2369720) is N-(3-cyanothiophen-2-yl)-2-quinazolin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-quinazolin-4-ylsulfanylacetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-quinazolin-4-ylsulfanylacetamide is N#Cc1ccsc1NC(=O)CSc1ncnc2ccccc12.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-quinazolin-4-ylsulfanylacetamide?
The InChIKey is GWSPDRQXIXPBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4OS2/c16-7-10-5-6-21-14(10)19-13(20)8-22-15-11-3-1-2-4-12(11)17-9-18-15/h1-6,9H,8H2,(H,19,20).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-quinazolin-4-ylsulfanylacetamide?
N-(3-cyanothiophen-2-yl)-2-quinazolin-4-ylsulfanylacetamide has a molecular weight of 326.41 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-quinazolin-4-ylsulfanylacetamide is sourced from PubChem (CID 2369720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).