4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine

C13H9N5OS2 — CID 17421443

IUPAC4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine
SMILESCn1c(Sc2ncnc3sccc23)nnc1-c1ccco1
InChIInChI=1S/C13H9N5OS2/c1-18-10(9-3-2-5-19-9)16-17-13(18)21-12-8-4-6-20-11(8)14-7-15-12/h2-7H,1H3
InChIKeyJXPISZXWNSOMKY-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.23
Rot. Bonds3

About 4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine

4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine (PubChem CID 17421443) has the molecular formula C13H9N5OS2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine
PubChem CID17421443
Molecular FormulaC13H9N5OS2
Molecular Weight315.38 g/mol
Exact Mass315.02
IUPAC Name4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine
SMILESCn1c(Sc2ncnc3sccc23)nnc1-c1ccco1
InChIInChI=1S/C13H9N5OS2/c1-18-10(9-3-2-5-19-9)16-17-13(18)21-12-8-4-6-20-11(8)14-7-15-12/h2-7H,1H3
InChIKeyJXPISZXWNSOMKY-UHFFFAOYSA-N
XLogP3.23
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

3-(furan-2-yl)-5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,2,4-triazol-4-amine
CID 133374328
6-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile
CID 18167851
2-(furan-2-yl)-5-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 7889194
4-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine
CID 155949935
3-(furan-2-yl)-5-[(1S)-1-thieno[2,3-d]pyrimidin-4-ylsulfanylethyl]-1,2,4-oxadiazole
CID 36981909
4-[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine
CID 46665728
3-[(4-methyl-5-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1,2,4-triazol-3-yl)methyl]thiolane 1,1-dioxide
CID 17436535
4-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline
CID 133444072
N-[(1S)-1-(furan-2-yl)ethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 41078126
(2R)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
CID 7268679
3-(3-chloropropylsulfanyl)-5-(furan-2-yl)-4-methyl-1,2,4-triazole
CID 91755704
2-ethyl-4-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine
CID 133404753

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine (CID 17421443) is 4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine is Cn1c(Sc2ncnc3sccc23)nnc1-c1ccco1.
What is the InChIKey of 4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine?
The InChIKey is JXPISZXWNSOMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5OS2/c1-18-10(9-3-2-5-19-9)16-17-13(18)21-12-8-4-6-20-11(8)14-7-15-12/h2-7H,1H3.
What are the key properties of 4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine?
4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine has a molecular weight of 315.38 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 17421443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).