3-(furan-2-yl)-5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,2,4-triazol-4-amine

C18H12N6OS2 — CID 133374328

IUPAC3-(furan-2-yl)-5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,2,4-triazol-4-amine
SMILESNn1c(Sc2ncnc3sc(-c4ccccc4)cc23)nnc1-c1ccco1
InChIInChI=1S/C18H12N6OS2/c19-24-15(13-7-4-8-25-13)22-23-18(24)27-17-12-9-14(11-5-2-1-3-6-11)26-16(12)20-10-21-17/h1-10H,19H2
InChIKeyGLXJUGUVSUPCGV-UHFFFAOYSA-N
MW392.47 g/mol
LogP4.07
Rot. Bonds4

About 3-(furan-2-yl)-5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,2,4-triazol-4-amine

3-(furan-2-yl)-5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,2,4-triazol-4-amine (PubChem CID 133374328) has the molecular formula C18H12N6OS2 and a molecular weight of 392.47 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-(furan-2-yl)-5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,2,4-triazol-4-amine
PubChem CID133374328
Molecular FormulaC18H12N6OS2
Molecular Weight392.47 g/mol
Exact Mass392.05
IUPAC Name3-(furan-2-yl)-5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,2,4-triazol-4-amine
SMILESNn1c(Sc2ncnc3sc(-c4ccccc4)cc23)nnc1-c1ccco1
InChIInChI=1S/C18H12N6OS2/c19-24-15(13-7-4-8-25-13)22-23-18(24)27-17-12-9-14(11-5-2-1-3-6-11)26-16(12)20-10-21-17/h1-10H,19H2
InChIKeyGLXJUGUVSUPCGV-UHFFFAOYSA-N
XLogP4.07
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-amine
CID 133369520
2-(furan-2-yl)-5-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 7888433
4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine
CID 17421443
3-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-5-(furan-2-yl)-1,2,4-triazol-4-amine
CID 133374350
2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanethioamide
CID 39158958
4-ethylsulfanyl-6-phenylthieno[2,3-d]pyrimidine
CID 7674132
2-(4-fluorophenyl)-5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-oxadiazole
CID 9333785
6-ethyl-4-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine
CID 31540034
(2R)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 7558288
2-phenyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 18137836
3-(furan-2-yl)-5-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)sulfanyl-1,2,4-triazol-4-amine
CID 133374371
4-methyl-6-phenylthieno[2,3-d]pyrimidine
CID 58810662

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,2,4-triazol-4-amine?
The IUPAC name of 3-(furan-2-yl)-5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,2,4-triazol-4-amine (CID 133374328) is 3-(furan-2-yl)-5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-(furan-2-yl)-5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-(furan-2-yl)-5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,2,4-triazol-4-amine is Nn1c(Sc2ncnc3sc(-c4ccccc4)cc23)nnc1-c1ccco1.
What is the InChIKey of 3-(furan-2-yl)-5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,2,4-triazol-4-amine?
The InChIKey is GLXJUGUVSUPCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6OS2/c19-24-15(13-7-4-8-25-13)22-23-18(24)27-17-12-9-14(11-5-2-1-3-6-11)26-16(12)20-10-21-17/h1-10H,19H2.
What are the key properties of 3-(furan-2-yl)-5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,2,4-triazol-4-amine?
3-(furan-2-yl)-5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,2,4-triazol-4-amine has a molecular weight of 392.47 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 133374328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).