cumene;ethane;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene

C63H93N5S3 — CID 161017977

IUPACcumene;ethane;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
SMILESCC.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccnn1C.CC(C)c1ccsc1.CC(C)c1nccs1
InChIInChI=1S/2C9H12.2C8H11N.C7H12N2.2C7H10S.C6H9NS.C2H6/c2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)7-4-5-8-9(7)3;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-7-3-4-8-6;1-2/h2*3-8H,1-2H3;2*3-7H,1-2H3;4-6H,1-3H3;2*3-6H,1-2H3;3-5H,1-2H3;1-2H3
InChIKeyTXZAOVTXHBAUBC-UHFFFAOYSA-N
MW1016.67 g/mol
LogP20.61
Rot. Bonds8

About cumene;ethane;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene

cumene;ethane;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene (PubChem CID 161017977) has the molecular formula C63H93N5S3 and a molecular weight of 1016.67 g/mol. Its IUPAC name is cumene;ethane;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene.

Molecular Properties

Compound Namecumene;ethane;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
PubChem CID161017977
Molecular FormulaC63H93N5S3
Molecular Weight1016.67 g/mol
Exact Mass1015.66
IUPAC Namecumene;ethane;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
SMILESCC.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccnn1C.CC(C)c1ccsc1.CC(C)c1nccs1
InChIInChI=1S/2C9H12.2C8H11N.C7H12N2.2C7H10S.C6H9NS.C2H6/c2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)7-4-5-8-9(7)3;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-7-3-4-8-6;1-2/h2*3-8H,1-2H3;2*3-7H,1-2H3;4-6H,1-3H3;2*3-6H,1-2H3;3-5H,1-2H3;1-2H3
InChIKeyTXZAOVTXHBAUBC-UHFFFAOYSA-N
XLogP20.61
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001016.67
LogP ≤ 520.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze cumene;ethane;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene 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 cumene;ethane;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The IUPAC name of cumene;ethane;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene (CID 161017977) is cumene;ethane;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene.
What is the SMILES notation for cumene;ethane;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The canonical SMILES for cumene;ethane;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene is CC.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccnn1C.CC(C)c1ccsc1.CC(C)c1nccs1.
What is the InChIKey of cumene;ethane;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The InChIKey is TXZAOVTXHBAUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H12.2C8H11N.C7H12N2.2C7H10S.C6H9NS.C2H6/c2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)7-4-5-8-9(7)3;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-7-3-4-8-6;1-2/h2*3-8H,1-2H3;2*3-7H,1-2H3;4-6H,1-3H3;2*3-6H,1-2H3;3-5H,1-2H3;1-2H3.
What are the key properties of cumene;ethane;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
cumene;ethane;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene has a molecular weight of 1016.67 g/mol, XLogP of 20.61, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;ethane;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene is sourced from PubChem (CID 161017977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).