N-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide

C14H11N3OS2 — CID 4148380

IUPACN-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
SMILESO=C(CSc1ncnc2sccc12)Nc1ccccc1
InChIInChI=1S/C14H11N3OS2/c18-12(17-10-4-2-1-3-5-10)8-20-14-11-6-7-19-13(11)15-9-16-14/h1-7,9H,8H2,(H,17,18)
InChIKeyLNRNCGLMKPIBBD-UHFFFAOYSA-N
MW301.40 g/mol
LogP3.42
Rot. Bonds4

About N-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide

N-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide (PubChem CID 4148380) has the molecular formula C14H11N3OS2 and a molecular weight of 301.40 g/mol. Its IUPAC name is N-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
PubChem CID4148380
Molecular FormulaC14H11N3OS2
Molecular Weight301.40 g/mol
Exact Mass301.03
IUPAC NameN-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
SMILESO=C(CSc1ncnc2sccc12)Nc1ccccc1
InChIInChI=1S/C14H11N3OS2/c18-12(17-10-4-2-1-3-5-10)8-20-14-11-6-7-19-13(11)15-9-16-14/h1-7,9H,8H2,(H,17,18)
InChIKeyLNRNCGLMKPIBBD-UHFFFAOYSA-N
XLogP3.42
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-Aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-methylphenyl)urea
CID 6539985
N-(3-bromophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2103474
3-(4-{4-Amino-6-methylthieno[2,3-d]pyrimidin-5-yl}phenyl)-1-phenylurea
CID 6539971
Urea, N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-N'-butyl-
CID 6539986
Thienopyrimidine deriv. 12
CID 6539989
N-benzylthieno[2,3-d]pyrimidin-4-amine
CID 2139597
4-Anilinothieno[2,3-d]pyrimidine
CID 2477685
N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 2509600
N-(4-morpholin-4-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2525652
2-((6-Phenylthieno(2,3-d)pyrimidin-4-yl)sulfanyl)acetic acid
CID 725214
4-Benzylsulfanylthieno[2,3-d]pyrimidine
CID 710987
Thienopyrimidine deriv. 78
CID 6539987

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The IUPAC name of N-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide (CID 4148380) is N-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The canonical SMILES for N-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide is O=C(CSc1ncnc2sccc12)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The InChIKey is LNRNCGLMKPIBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS2/c18-12(17-10-4-2-1-3-5-10)8-20-14-11-6-7-19-13(11)15-9-16-14/h1-7,9H,8H2,(H,17,18).
What are the key properties of N-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
N-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide has a molecular weight of 301.40 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide is sourced from PubChem (CID 4148380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).