N-benzyl-2-[(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide

C20H16N4OS2 — CID 43812738

IUPACN-benzyl-2-[(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide
SMILESO=C(CSc1ncnc2c(-c3ccccc3)nsc12)NCc1ccccc1
InChIInChI=1S/C20H16N4OS2/c25-16(21-11-14-7-3-1-4-8-14)12-26-20-19-18(22-13-23-20)17(24-27-19)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,21,25)
InChIKeyGCPZKJVNOFQNDP-UHFFFAOYSA-N
MW392.51 g/mol
LogP4.16
Rot. Bonds6

About N-benzyl-2-[(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide

N-benzyl-2-[(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide (PubChem CID 43812738) has the molecular formula C20H16N4OS2 and a molecular weight of 392.51 g/mol. Its IUPAC name is N-benzyl-2-[(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide
PubChem CID43812738
Molecular FormulaC20H16N4OS2
Molecular Weight392.51 g/mol
Exact Mass392.08
IUPAC NameN-benzyl-2-[(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide
SMILESO=C(CSc1ncnc2c(-c3ccccc3)nsc12)NCc1ccccc1
InChIInChI=1S/C20H16N4OS2/c25-16(21-11-14-7-3-1-4-8-14)12-26-20-19-18(22-13-23-20)17(24-27-19)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,21,25)
InChIKeyGCPZKJVNOFQNDP-UHFFFAOYSA-N
XLogP4.16
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetate
CID 1153171
benzyl 2-[[3-(4-fluorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetate
CID 3177741
2-[[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-N-(2-methoxyethyl)acetamide
CID 3214109
2-[[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 3214111
2-[[3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-N-prop-2-enylacetamide
CID 43812728
7-benzylsulfanyl-3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidine
CID 3213182
2-[[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-N-(2-ethylphenyl)acetamide
CID 3214102
N-(2-ethylphenyl)-2-[[3-(4-fluorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetamide
CID 1150048
2-[[3-(4-fluorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-N,N-diphenylacetamide
CID 3177730
2-[[3-(4-methylphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetamide
CID 1453072
N-cyclohexyl-2-[[3-(4-methylphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetamide
CID 1453078
N-(2-fluorophenyl)-2-[[3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetamide
CID 4987567

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide?
The IUPAC name of N-benzyl-2-[(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide (CID 43812738) is N-benzyl-2-[(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide.
What is the SMILES notation for N-benzyl-2-[(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide?
The canonical SMILES for N-benzyl-2-[(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide is O=C(CSc1ncnc2c(-c3ccccc3)nsc12)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide?
The InChIKey is GCPZKJVNOFQNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS2/c25-16(21-11-14-7-3-1-4-8-14)12-26-20-19-18(22-13-23-20)17(24-27-19)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,21,25).
What are the key properties of N-benzyl-2-[(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide?
N-benzyl-2-[(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide has a molecular weight of 392.51 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide is sourced from PubChem (CID 43812738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).