N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

C24H20N4O4S2 — CID 647591

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCCOc1ccc2nc(NC(=O)CSc3nc4ccccc4c(=O)n3Cc3ccco3)sc2c1
InChIInChI=1S/C24H20N4O4S2/c1-2-31-15-9-10-19-20(12-15)34-23(25-19)27-21(29)14-33-24-26-18-8-4-3-7-17(18)22(30)28(24)13-16-6-5-11-32-16/h3-12H,2,13-14H2,1H3,(H,25,27,29)
InChIKeyOMFYQJYSZOYJOC-UHFFFAOYSA-N
MW492.58 g/mol
LogP4.78
Rot. Bonds8

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (PubChem CID 647591) has the molecular formula C24H20N4O4S2 and a molecular weight of 492.58 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
PubChem CID647591
Molecular FormulaC24H20N4O4S2
Molecular Weight492.58 g/mol
Exact Mass492.09
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCCOc1ccc2nc(NC(=O)CSc3nc4ccccc4c(=O)n3Cc3ccco3)sc2c1
InChIInChI=1S/C24H20N4O4S2/c1-2-31-15-9-10-19-20(12-15)34-23(25-19)27-21(29)14-33-24-26-18-8-4-3-7-17(18)22(30)28(24)13-16-6-5-11-32-16/h3-12H,2,13-14H2,1H3,(H,25,27,29)
InChIKeyOMFYQJYSZOYJOC-UHFFFAOYSA-N
XLogP4.78
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(4-{[(6-methoxy-1,3-benzothiazol-2-yl)amino]carbonyl}phenyl)tetrahydrofuran-2-carboxamide
CID 16002341
3-Benzothiazol-2-yl-2-furan-2-yl-3H-quinazolin-4-one
CID 934475
N-(1,3-benzothiazol-2-yl)-1-[6-(hydroxyamino)-6-oxohexyl]-6-methoxy-4-oxoquinoline-3-carboxamide
CID 46831306
N-(6-methoxybenzo[d]thiazol-2-yl)-4-(piperidine-1-carbonyl)benzamide
CID 117941178
4-methoxy-N-[4-[[[6-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-2-yl]amino]methyl]phenyl]benzamide
CID 137659452
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
CID 146405944
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
CID 146405955
Quinolone-based HDAC inhibitor 4p
CID 131953874
3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 1188888
2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 2453397
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-morpholin-4-yl-5-nitrobenzamide
CID 3878885
Ethyl 1-{2-[(6-ethoxy-1,3-benzothiazol-2-YL)carbamoyl]ethyl}-5-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate
CID 4126008

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (CID 647591) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is CCOc1ccc2nc(NC(=O)CSc3nc4ccccc4c(=O)n3Cc3ccco3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The InChIKey is OMFYQJYSZOYJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4S2/c1-2-31-15-9-10-19-20(12-15)34-23(25-19)27-21(29)14-33-24-26-18-8-4-3-7-17(18)22(30)28(24)13-16-6-5-11-32-16/h3-12H,2,13-14H2,1H3,(H,25,27,29).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide has a molecular weight of 492.58 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 647591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).