4-amino-2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-5-carbonitrile

C13H9N5OS2 — CID 56783686

IUPAC4-amino-2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(SCc2csc(-c3ccoc3)n2)nc1N
InChIInChI=1S/C13H9N5OS2/c14-3-9-4-16-13(18-11(9)15)21-7-10-6-20-12(17-10)8-1-2-19-5-8/h1-2,4-6H,7H2,(H2,15,16,18)
InChIKeyIENTZPFTYRMNKR-UHFFFAOYSA-N
MW315.38 g/mol
LogP2.94
Rot. Bonds4

About 4-amino-2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-5-carbonitrile

4-amino-2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-5-carbonitrile (PubChem CID 56783686) has the molecular formula C13H9N5OS2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-amino-2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-5-carbonitrile
PubChem CID56783686
Molecular FormulaC13H9N5OS2
Molecular Weight315.38 g/mol
Exact Mass315.02
IUPAC Name4-amino-2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(SCc2csc(-c3ccoc3)n2)nc1N
InChIInChI=1S/C13H9N5OS2/c14-3-9-4-16-13(18-11(9)15)21-7-10-6-20-12(17-10)8-1-2-19-5-8/h1-2,4-6H,7H2,(H2,15,16,18)
InChIKeyIENTZPFTYRMNKR-UHFFFAOYSA-N
XLogP2.94
TPSA101.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-5-carbonitrile (CID 56783686) is 4-amino-2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-5-carbonitrile is N#Cc1cnc(SCc2csc(-c3ccoc3)n2)nc1N.
What is the InChIKey of 4-amino-2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-5-carbonitrile?
The InChIKey is IENTZPFTYRMNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5OS2/c14-3-9-4-16-13(18-11(9)15)21-7-10-6-20-12(17-10)8-1-2-19-5-8/h1-2,4-6H,7H2,(H2,15,16,18).
What are the key properties of 4-amino-2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-5-carbonitrile?
4-amino-2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-5-carbonitrile has a molecular weight of 315.38 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 56783686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).