ethane;2-(furan-2-yl)-1,3-thiazole;5-(furan-2-yl)-1,3-thiazole;2-hexyl-5-thiophen-2-yl-1,3-thiazole;2-pentyl-5-thiophen-2-yl-1,3-thiazole;2-thiophen-2-yl-1,3-thiazole;5-thiophen-2-yl-1,3-thiazole

C65H88N6O2S10 — CID 157331338

IUPACethane;2-(furan-2-yl)-1,3-thiazole;5-(furan-2-yl)-1,3-thiazole;2-hexyl-5-thiophen-2-yl-1,3-thiazole;2-pentyl-5-thiophen-2-yl-1,3-thiazole;2-thiophen-2-yl-1,3-thiazole;5-thiophen-2-yl-1,3-thiazole
SMILESCC.CC.CC.CC.CC.CC.CCCCCCc1ncc(-c2cccs2)s1.CCCCCc1ncc(-c2cccs2)s1.c1coc(-c2cncs2)c1.c1coc(-c2nccs2)c1.c1csc(-c2cncs2)c1.c1csc(-c2nccs2)c1
InChIInChI=1S/C13H17NS2.C12H15NS2.2C7H5NOS.2C7H5NS2.6C2H6/c1-2-3-4-5-8-13-14-10-12(16-13)11-7-6-9-15-11;1-2-3-4-7-12-13-9-11(15-12)10-6-5-8-14-10;1-2-6(9-4-1)7-8-3-5-10-7;1-2-6(9-3-1)7-4-8-5-10-7;1-2-6(9-4-1)7-8-3-5-10-7;1-2-6(9-3-1)7-4-8-5-10-7;6*1-2/h6-7,9-10H,2-5,8H2,1H3;5-6,8-9H,2-4,7H2,1H3;4*1-5H;6*1-2H3
InChIKeyBFHYAIRHEXLFIU-UHFFFAOYSA-N
MW1306.13 g/mol
LogP26.31
Rot. Bonds15

About ethane;2-(furan-2-yl)-1,3-thiazole;5-(furan-2-yl)-1,3-thiazole;2-hexyl-5-thiophen-2-yl-1,3-thiazole;2-pentyl-5-thiophen-2-yl-1,3-thiazole;2-thiophen-2-yl-1,3-thiazole;5-thiophen-2-yl-1,3-thiazole

ethane;2-(furan-2-yl)-1,3-thiazole;5-(furan-2-yl)-1,3-thiazole;2-hexyl-5-thiophen-2-yl-1,3-thiazole;2-pentyl-5-thiophen-2-yl-1,3-thiazole;2-thiophen-2-yl-1,3-thiazole;5-thiophen-2-yl-1,3-thiazole (PubChem CID 157331338) has the molecular formula C65H88N6O2S10 and a molecular weight of 1306.13 g/mol. Its IUPAC name is ethane;2-(furan-2-yl)-1,3-thiazole;5-(furan-2-yl)-1,3-thiazole;2-hexyl-5-thiophen-2-yl-1,3-thiazole;2-pentyl-5-thiophen-2-yl-1,3-thiazole;2-thiophen-2-yl-1,3-thiazole;5-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Nameethane;2-(furan-2-yl)-1,3-thiazole;5-(furan-2-yl)-1,3-thiazole;2-hexyl-5-thiophen-2-yl-1,3-thiazole;2-pentyl-5-thiophen-2-yl-1,3-thiazole;2-thiophen-2-yl-1,3-thiazole;5-thiophen-2-yl-1,3-thiazole
PubChem CID157331338
Molecular FormulaC65H88N6O2S10
Molecular Weight1306.13 g/mol
Exact Mass1304.42
IUPAC Nameethane;2-(furan-2-yl)-1,3-thiazole;5-(furan-2-yl)-1,3-thiazole;2-hexyl-5-thiophen-2-yl-1,3-thiazole;2-pentyl-5-thiophen-2-yl-1,3-thiazole;2-thiophen-2-yl-1,3-thiazole;5-thiophen-2-yl-1,3-thiazole
SMILESCC.CC.CC.CC.CC.CC.CCCCCCc1ncc(-c2cccs2)s1.CCCCCc1ncc(-c2cccs2)s1.c1coc(-c2cncs2)c1.c1coc(-c2nccs2)c1.c1csc(-c2cncs2)c1.c1csc(-c2nccs2)c1
InChIInChI=1S/C13H17NS2.C12H15NS2.2C7H5NOS.2C7H5NS2.6C2H6/c1-2-3-4-5-8-13-14-10-12(16-13)11-7-6-9-15-11;1-2-3-4-7-12-13-9-11(15-12)10-6-5-8-14-10;1-2-6(9-4-1)7-8-3-5-10-7;1-2-6(9-3-1)7-4-8-5-10-7;1-2-6(9-4-1)7-8-3-5-10-7;1-2-6(9-3-1)7-4-8-5-10-7;6*1-2/h6-7,9-10H,2-5,8H2,1H3;5-6,8-9H,2-4,7H2,1H3;4*1-5H;6*1-2H3
InChIKeyBFHYAIRHEXLFIU-UHFFFAOYSA-N
XLogP26.31
TPSA103.62 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001306.13
LogP ≤ 526.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethane;2-(furan-2-yl)-1,3-thiazole;5-(furan-2-yl)-1,3-thiazole;2-hexyl-5-thiophen-2-yl-1,3-thiazole;2-pentyl-5-thiophen-2-yl-1,3-thiazole;2-thiophen-2-yl-1,3-thiazole;5-thiophen-2-yl-1,3-thiazole with MolForge

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Related Compounds

2,5-Bis(furan-2-yl)-1,3-thiazole
CID 69995350
2-(Furan-2-yl)-5-pyridin-2-yl-4-thiophen-2-yl-1,3-thiazole
CID 141060193
[4-(Furan-2-yl)-1,3-thiazol-5-yl]-(5-methyl-1,3-thiazol-2-yl)methanone
CID 141118044
Ethane;2-fluoro-5-thiophen-2-ylfuran;2-methyl-5-thiophen-2-ylfuran;2-pentyl-5-thiophen-2-yl-1,3-thiazole;2-thiophen-2-yl-1,3-thiazole;5-thiophen-2-yl-1,3-thiazole
CID 157136170
Ethane;5-(furan-2-yl)-2-hexyl-1,3-thiazole;2-(furan-2-yl)-1,3-thiazole;5-(furan-2-yl)-1,3-thiazole;5-hexyl-2-thiophen-2-yl-1,3-thiazole;2-thiophen-3-ylthiophene
CID 159852167
Ethane;2-(furan-2-yl)-1,3-thiazole;5-(furan-2-yl)-1,3-thiazole;5-hexyl-2-thiophen-2-yl-1,3-thiazole;2-pentyl-5-thiophen-2-yl-1,3-thiazole;2-thiophen-2-yl-1,3-thiazole;5-thiophen-2-yl-1,3-thiazole
CID 160487809
ethane;2-fluoro-5-thiophen-2-yl-1H-pyrrole;2-(furan-2-yl)-1H-pyrrole;2-(5-methylfuran-2-yl)-1H-pyrrole;2-methyl-5-thiophen-2-yl-1H-pyrrole;2-(5-pentylfuran-2-yl)-1H-pyrrole
CID 161926068
N-(furan-2-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 56440316
methyl 2-[(E)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethenyl]-1,3-thiazole-5-carboxylate
CID 60220531
2-(furan-2-yl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 126774132
(E)-3-[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]-1-(1,3-thiazol-5-yl)prop-2-en-1-one
CID 167873035

Frequently Asked Questions

What is the IUPAC name of ethane;2-(furan-2-yl)-1,3-thiazole;5-(furan-2-yl)-1,3-thiazole;2-hexyl-5-thiophen-2-yl-1,3-thiazole;2-pentyl-5-thiophen-2-yl-1,3-thiazole;2-thiophen-2-yl-1,3-thiazole;5-thiophen-2-yl-1,3-thiazole?
The IUPAC name of ethane;2-(furan-2-yl)-1,3-thiazole;5-(furan-2-yl)-1,3-thiazole;2-hexyl-5-thiophen-2-yl-1,3-thiazole;2-pentyl-5-thiophen-2-yl-1,3-thiazole;2-thiophen-2-yl-1,3-thiazole;5-thiophen-2-yl-1,3-thiazole (CID 157331338) is ethane;2-(furan-2-yl)-1,3-thiazole;5-(furan-2-yl)-1,3-thiazole;2-hexyl-5-thiophen-2-yl-1,3-thiazole;2-pentyl-5-thiophen-2-yl-1,3-thiazole;2-thiophen-2-yl-1,3-thiazole;5-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for ethane;2-(furan-2-yl)-1,3-thiazole;5-(furan-2-yl)-1,3-thiazole;2-hexyl-5-thiophen-2-yl-1,3-thiazole;2-pentyl-5-thiophen-2-yl-1,3-thiazole;2-thiophen-2-yl-1,3-thiazole;5-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for ethane;2-(furan-2-yl)-1,3-thiazole;5-(furan-2-yl)-1,3-thiazole;2-hexyl-5-thiophen-2-yl-1,3-thiazole;2-pentyl-5-thiophen-2-yl-1,3-thiazole;2-thiophen-2-yl-1,3-thiazole;5-thiophen-2-yl-1,3-thiazole is CC.CC.CC.CC.CC.CC.CCCCCCc1ncc(-c2cccs2)s1.CCCCCc1ncc(-c2cccs2)s1.c1coc(-c2cncs2)c1.c1coc(-c2nccs2)c1.c1csc(-c2cncs2)c1.c1csc(-c2nccs2)c1.
What is the InChIKey of ethane;2-(furan-2-yl)-1,3-thiazole;5-(furan-2-yl)-1,3-thiazole;2-hexyl-5-thiophen-2-yl-1,3-thiazole;2-pentyl-5-thiophen-2-yl-1,3-thiazole;2-thiophen-2-yl-1,3-thiazole;5-thiophen-2-yl-1,3-thiazole?
The InChIKey is BFHYAIRHEXLFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS2.C12H15NS2.2C7H5NOS.2C7H5NS2.6C2H6/c1-2-3-4-5-8-13-14-10-12(16-13)11-7-6-9-15-11;1-2-3-4-7-12-13-9-11(15-12)10-6-5-8-14-10;1-2-6(9-4-1)7-8-3-5-10-7;1-2-6(9-3-1)7-4-8-5-10-7;1-2-6(9-4-1)7-8-3-5-10-7;1-2-6(9-3-1)7-4-8-5-10-7;6*1-2/h6-7,9-10H,2-5,8H2,1H3;5-6,8-9H,2-4,7H2,1H3;4*1-5H;6*1-2H3.
What are the key properties of ethane;2-(furan-2-yl)-1,3-thiazole;5-(furan-2-yl)-1,3-thiazole;2-hexyl-5-thiophen-2-yl-1,3-thiazole;2-pentyl-5-thiophen-2-yl-1,3-thiazole;2-thiophen-2-yl-1,3-thiazole;5-thiophen-2-yl-1,3-thiazole?
ethane;2-(furan-2-yl)-1,3-thiazole;5-(furan-2-yl)-1,3-thiazole;2-hexyl-5-thiophen-2-yl-1,3-thiazole;2-pentyl-5-thiophen-2-yl-1,3-thiazole;2-thiophen-2-yl-1,3-thiazole;5-thiophen-2-yl-1,3-thiazole has a molecular weight of 1306.13 g/mol, XLogP of 26.31, 15 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(furan-2-yl)-1,3-thiazole;5-(furan-2-yl)-1,3-thiazole;2-hexyl-5-thiophen-2-yl-1,3-thiazole;2-pentyl-5-thiophen-2-yl-1,3-thiazole;2-thiophen-2-yl-1,3-thiazole;5-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 157331338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).