4-ethyl-5-fluoro-6-[[4-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine

C17H14FN5OS2 — CID 133420901

IUPAC4-ethyl-5-fluoro-6-[[4-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine
SMILESCCc1ncnc(Sc2nnc(-c3cccs3)n2Cc2ccco2)c1F
InChIInChI=1S/C17H14FN5OS2/c1-2-12-14(18)16(20-10-19-12)26-17-22-21-15(13-6-4-8-25-13)23(17)9-11-5-3-7-24-11/h3-8,10H,2,9H2,1H3
InChIKeyUIZSFHINFCTKQT-UHFFFAOYSA-N
MW387.47 g/mol
LogP4.29
Rot. Bonds6

About 4-ethyl-5-fluoro-6-[[4-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine

4-ethyl-5-fluoro-6-[[4-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine (PubChem CID 133420901) has the molecular formula C17H14FN5OS2 and a molecular weight of 387.47 g/mol. Its IUPAC name is 4-ethyl-5-fluoro-6-[[4-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine.

Molecular Properties

Compound Name4-ethyl-5-fluoro-6-[[4-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine
PubChem CID133420901
Molecular FormulaC17H14FN5OS2
Molecular Weight387.47 g/mol
Exact Mass387.06
IUPAC Name4-ethyl-5-fluoro-6-[[4-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine
SMILESCCc1ncnc(Sc2nnc(-c3cccs3)n2Cc2ccco2)c1F
InChIInChI=1S/C17H14FN5OS2/c1-2-12-14(18)16(20-10-19-12)26-17-22-21-15(13-6-4-8-25-13)23(17)9-11-5-3-7-24-11/h3-8,10H,2,9H2,1H3
InChIKeyUIZSFHINFCTKQT-UHFFFAOYSA-N
XLogP4.29
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-ethyl-5-fluoro-6-[[4-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

4-(furan-2-ylmethyl)-3-(oxan-4-ylsulfanyl)-5-thiophen-2-yl-1,2,4-triazole
CID 99624382
3-[(2,6-dichlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazole
CID 2043585
4-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline
CID 133444072
(4S)-4-[[4-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]pentanenitrile
CID 124848532
3-ethyl-5-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1,2,4-thiadiazole
CID 133444077
4-ethyl-5-fluoro-6-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine
CID 133432916
N-(4-bromo-3-methylphenyl)-2-[[4-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2040686
4-ethyl-5-fluoro-6-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
CID 133420889
3-(4-chlorophenyl)-4-(furan-2-ylmethyl)-5-methylsulfanyl-1,2,4-triazole
CID 7989436
2-methylsulfanyl-7-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-[1,3]thiazolo[4,5-d]pyrimidine
CID 133444025
4-[[4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline
CID 133427285
3-(furan-2-ylmethyl)-N-phenyl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23883340

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-fluoro-6-[[4-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine?
The IUPAC name of 4-ethyl-5-fluoro-6-[[4-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine (CID 133420901) is 4-ethyl-5-fluoro-6-[[4-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine.
What is the SMILES notation for 4-ethyl-5-fluoro-6-[[4-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine?
The canonical SMILES for 4-ethyl-5-fluoro-6-[[4-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine is CCc1ncnc(Sc2nnc(-c3cccs3)n2Cc2ccco2)c1F.
What is the InChIKey of 4-ethyl-5-fluoro-6-[[4-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine?
The InChIKey is UIZSFHINFCTKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5OS2/c1-2-12-14(18)16(20-10-19-12)26-17-22-21-15(13-6-4-8-25-13)23(17)9-11-5-3-7-24-11/h3-8,10H,2,9H2,1H3.
What are the key properties of 4-ethyl-5-fluoro-6-[[4-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine?
4-ethyl-5-fluoro-6-[[4-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine has a molecular weight of 387.47 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-fluoro-6-[[4-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine is sourced from PubChem (CID 133420901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).