N-[(1S)-1-(furan-2-yl)ethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide

C14H13N3O2S2 — CID 41078126

IUPACN-[(1S)-1-(furan-2-yl)ethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
SMILESC[C@H](NC(=O)CSc1ncnc2sccc12)c1ccco1
InChIInChI=1S/C14H13N3O2S2/c1-9(11-3-2-5-19-11)17-12(18)7-21-14-10-4-6-20-13(10)15-8-16-14/h2-6,8-9H,7H2,1H3,(H,17,18)/t9-/m0/s1
InChIKeyKZCMXCOJJPTCLB-VIFPVBQESA-N
MW319.41 g/mol
LogP3.25
Rot. Bonds5

About N-[(1S)-1-(furan-2-yl)ethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide

N-[(1S)-1-(furan-2-yl)ethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide (PubChem CID 41078126) has the molecular formula C14H13N3O2S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)ethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)ethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
PubChem CID41078126
Molecular FormulaC14H13N3O2S2
Molecular Weight319.41 g/mol
Exact Mass319.04
IUPAC NameN-[(1S)-1-(furan-2-yl)ethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
SMILESC[C@H](NC(=O)CSc1ncnc2sccc12)c1ccco1
InChIInChI=1S/C14H13N3O2S2/c1-9(11-3-2-5-19-11)17-12(18)7-21-14-10-4-6-20-13(10)15-8-16-14/h2-6,8-9H,7H2,1H3,(H,17,18)/t9-/m0/s1
InChIKeyKZCMXCOJJPTCLB-VIFPVBQESA-N
XLogP3.25
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(furan-2-yl)ethyl]-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 42106676
N-[(2R)-4-phenylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 2707946
N-[[(2R)-butan-2-yl]carbamoyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 7889493
N-(3-methyl-1,2-oxazol-5-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 17450231
N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 7889497
N-[(1S)-1,2-diphenylethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 9389594
N-[(1R)-1-(furan-2-yl)ethyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 41099497
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 41061274
N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylsulfanylacetamide
CID 9482011
N-[(1S)-1-(furan-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 9031350
N-(5-methyl-1,2-oxazol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 2406271
[2-(2-methylpropylamino)-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 7735780

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide (CID 41078126) is N-[(1S)-1-(furan-2-yl)ethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide is C[C@H](NC(=O)CSc1ncnc2sccc12)c1ccco1.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The InChIKey is KZCMXCOJJPTCLB-VIFPVBQESA-N. The full InChI is InChI=1S/C14H13N3O2S2/c1-9(11-3-2-5-19-11)17-12(18)7-21-14-10-4-6-20-13(10)15-8-16-14/h2-6,8-9H,7H2,1H3,(H,17,18)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
N-[(1S)-1-(furan-2-yl)ethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide has a molecular weight of 319.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(furan-2-yl)ethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide is sourced from PubChem (CID 41078126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).