N-(2,3-dichlorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide

C14H9Cl2N3OS2 — CID 16541563

IUPACN-(2,3-dichlorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
SMILESO=C(CSc1ncnc2sccc12)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C14H9Cl2N3OS2/c15-9-2-1-3-10(12(9)16)19-11(20)6-22-14-8-4-5-21-13(8)17-7-18-14/h1-5,7H,6H2,(H,19,20)
InChIKeyLHWQMDIPRGVGEV-UHFFFAOYSA-N
MW370.29 g/mol
LogP4.73
Rot. Bonds4

About N-(2,3-dichlorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide

N-(2,3-dichlorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide (PubChem CID 16541563) has the molecular formula C14H9Cl2N3OS2 and a molecular weight of 370.29 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
PubChem CID16541563
Molecular FormulaC14H9Cl2N3OS2
Molecular Weight370.29 g/mol
Exact Mass368.96
IUPAC NameN-(2,3-dichlorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
SMILESO=C(CSc1ncnc2sccc12)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C14H9Cl2N3OS2/c15-9-2-1-3-10(12(9)16)19-11(20)6-22-14-8-4-5-21-13(8)17-7-18-14/h1-5,7H,6H2,(H,19,20)
InChIKeyLHWQMDIPRGVGEV-UHFFFAOYSA-N
XLogP4.73
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 2707960
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 3516818
N-phenyl-2-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide
CID 4880072
N-cyclopentyl-2-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide
CID 7889162
N-(5-methyl-1,2-oxazol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 2406271
N-(4-piperidin-1-ylphenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 4786757
2-(3-aminopyrazin-2-yl)sulfanyl-N-(2,3-dichlorophenyl)acetamide
CID 106678563
N-(3-methyl-1,2-oxazol-5-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 17450231
N,N-dimethyl-4-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide
CID 2674057
N-(3-chloro-2-methylphenyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 1144559
N-[4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)phenyl]acetamide
CID 2620993
N-(2-chlorophenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2705204

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide (CID 16541563) is N-(2,3-dichlorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide is O=C(CSc1ncnc2sccc12)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The InChIKey is LHWQMDIPRGVGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3OS2/c15-9-2-1-3-10(12(9)16)19-11(20)6-22-14-8-4-5-21-13(8)17-7-18-14/h1-5,7H,6H2,(H,19,20).
What are the key properties of N-(2,3-dichlorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
N-(2,3-dichlorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide has a molecular weight of 370.29 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide is sourced from PubChem (CID 16541563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).