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

C14H10BrN3OS2 — CID 34244719

IUPACN-(3-bromophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
SMILESO=C(CSc1ncnc2ccsc12)Nc1cccc(Br)c1
InChIInChI=1S/C14H10BrN3OS2/c15-9-2-1-3-10(6-9)18-12(19)7-21-14-13-11(4-5-20-13)16-8-17-14/h1-6,8H,7H2,(H,18,19)
InChIKeyDBSNIPPOZJURSJ-UHFFFAOYSA-N
MW380.29 g/mol
LogP4.18
Rot. Bonds4

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

N-(3-bromophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide (PubChem CID 34244719) has the molecular formula C14H10BrN3OS2 and a molecular weight of 380.29 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
PubChem CID34244719
Molecular FormulaC14H10BrN3OS2
Molecular Weight380.29 g/mol
Exact Mass378.94
IUPAC NameN-(3-bromophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
SMILESO=C(CSc1ncnc2ccsc12)Nc1cccc(Br)c1
InChIInChI=1S/C14H10BrN3OS2/c15-9-2-1-3-10(6-9)18-12(19)7-21-14-13-11(4-5-20-13)16-8-17-14/h1-6,8H,7H2,(H,18,19)
InChIKeyDBSNIPPOZJURSJ-UHFFFAOYSA-N
XLogP4.18
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide
CID 17418273
N-(4-fluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 34245034
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 18123788
N-(2,4-dichlorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 34245203
2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetic acid
CID 43236106
methyl 2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetate
CID 2808870
2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18123956
N-(3-methylbutan-2-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 46661730
N-(2-propan-2-ylpyrazol-3-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 18123864
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 24559093
N-propan-2-yl-2-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide
CID 36983613
methyl 4-methyl-3-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzoate
CID 34247171

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
The IUPAC name of N-(3-bromophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide (CID 34244719) is N-(3-bromophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
The canonical SMILES for N-(3-bromophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide is O=C(CSc1ncnc2ccsc12)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
The InChIKey is DBSNIPPOZJURSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3OS2/c15-9-2-1-3-10(6-9)18-12(19)7-21-14-13-11(4-5-20-13)16-8-17-14/h1-6,8H,7H2,(H,18,19).
What are the key properties of N-(3-bromophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
N-(3-bromophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide has a molecular weight of 380.29 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide is sourced from PubChem (CID 34244719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).