ethane;5-phenyl-1H-pyrazole;2-phenylpyridine;2-phenyl-1,3-thiazole;2-phenylthiophene

C47H56N4S2 — CID 159789083

IUPACethane;5-phenyl-1H-pyrazole;2-phenylpyridine;2-phenyl-1,3-thiazole;2-phenylthiophene
SMILESCC.CC.CC.CC.c1ccc(-c2ccccn2)cc1.c1ccc(-c2cccs2)cc1.c1ccc(-c2ccn[nH]2)cc1.c1ccc(-c2nccs2)cc1
InChIInChI=1S/C11H9N.C10H8S.C9H8N2.C9H7NS.4C2H6/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-5-9(6-3-1)10-7-4-8-11-10;1-2-4-8(5-3-1)9-6-7-10-11-9;1-2-4-8(5-3-1)9-10-6-7-11-9;4*1-2/h1-9H;1-8H;1-7H,(H,10,11);1-7H;4*1-2H3
InChIKeyNIIAEDLVUSFREV-UHFFFAOYSA-N
MW741.13 g/mol
LogP15.16
Rot. Bonds4

About ethane;5-phenyl-1H-pyrazole;2-phenylpyridine;2-phenyl-1,3-thiazole;2-phenylthiophene

ethane;5-phenyl-1H-pyrazole;2-phenylpyridine;2-phenyl-1,3-thiazole;2-phenylthiophene (PubChem CID 159789083) has the molecular formula C47H56N4S2 and a molecular weight of 741.13 g/mol. Its IUPAC name is ethane;5-phenyl-1H-pyrazole;2-phenylpyridine;2-phenyl-1,3-thiazole;2-phenylthiophene.

Molecular Properties

Compound Nameethane;5-phenyl-1H-pyrazole;2-phenylpyridine;2-phenyl-1,3-thiazole;2-phenylthiophene
PubChem CID159789083
Molecular FormulaC47H56N4S2
Molecular Weight741.13 g/mol
Exact Mass740.39
IUPAC Nameethane;5-phenyl-1H-pyrazole;2-phenylpyridine;2-phenyl-1,3-thiazole;2-phenylthiophene
SMILESCC.CC.CC.CC.c1ccc(-c2ccccn2)cc1.c1ccc(-c2cccs2)cc1.c1ccc(-c2ccn[nH]2)cc1.c1ccc(-c2nccs2)cc1
InChIInChI=1S/C11H9N.C10H8S.C9H8N2.C9H7NS.4C2H6/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-5-9(6-3-1)10-7-4-8-11-10;1-2-4-8(5-3-1)9-6-7-10-11-9;1-2-4-8(5-3-1)9-10-6-7-11-9;4*1-2/h1-9H;1-8H;1-7H,(H,10,11);1-7H;4*1-2H3
InChIKeyNIIAEDLVUSFREV-UHFFFAOYSA-N
XLogP15.16
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.13
LogP ≤ 515.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethane;5-phenyl-1H-pyrazole;2-phenylpyridine;2-phenyl-1,3-thiazole;2-phenylthiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;5-phenyl-1H-pyrazole;2-phenylpyridine;2-phenyl-1,3-thiazole;2-phenylthiophene?
The IUPAC name of ethane;5-phenyl-1H-pyrazole;2-phenylpyridine;2-phenyl-1,3-thiazole;2-phenylthiophene (CID 159789083) is ethane;5-phenyl-1H-pyrazole;2-phenylpyridine;2-phenyl-1,3-thiazole;2-phenylthiophene.
What is the SMILES notation for ethane;5-phenyl-1H-pyrazole;2-phenylpyridine;2-phenyl-1,3-thiazole;2-phenylthiophene?
The canonical SMILES for ethane;5-phenyl-1H-pyrazole;2-phenylpyridine;2-phenyl-1,3-thiazole;2-phenylthiophene is CC.CC.CC.CC.c1ccc(-c2ccccn2)cc1.c1ccc(-c2cccs2)cc1.c1ccc(-c2ccn[nH]2)cc1.c1ccc(-c2nccs2)cc1.
What is the InChIKey of ethane;5-phenyl-1H-pyrazole;2-phenylpyridine;2-phenyl-1,3-thiazole;2-phenylthiophene?
The InChIKey is NIIAEDLVUSFREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N.C10H8S.C9H8N2.C9H7NS.4C2H6/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-5-9(6-3-1)10-7-4-8-11-10;1-2-4-8(5-3-1)9-6-7-10-11-9;1-2-4-8(5-3-1)9-10-6-7-11-9;4*1-2/h1-9H;1-8H;1-7H,(H,10,11);1-7H;4*1-2H3.
What are the key properties of ethane;5-phenyl-1H-pyrazole;2-phenylpyridine;2-phenyl-1,3-thiazole;2-phenylthiophene?
ethane;5-phenyl-1H-pyrazole;2-phenylpyridine;2-phenyl-1,3-thiazole;2-phenylthiophene has a molecular weight of 741.13 g/mol, XLogP of 15.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-phenyl-1H-pyrazole;2-phenylpyridine;2-phenyl-1,3-thiazole;2-phenylthiophene is sourced from PubChem (CID 159789083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).