cumene;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;1,4-di(propan-2-yl)triazole;1,5-di(propan-2-yl)triazole;furan;hexakis(2-methylpropane);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;thiophene — IUPAC name, SMILES, InChIKey & properties

Name: cumene;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;1,4-di(propan-2-yl)triazole;1,5-di(propan-2-yl)triazole;furan;hexakis(2-methylpropane);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;thiophene — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About cumene;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;1,4-di(propan-2-yl)triazole;1,5-di(propan-2-yl)triazole;furan;hexakis(2-methylpropane);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;thiophene

cumene;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;1,4-di(propan-2-yl)triazole;1,5-di(propan-2-yl)triazole;furan;hexakis(2-methylpropane);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;thiophene (PubChem CID 158905021) has the molecular formula C108H198N20O4S4 and a molecular weight of 1969.18 g/mol. Its IUPAC name is cumene;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;1,4-di(propan-2-yl)triazole;1,5-di(propan-2-yl)triazole;furan;hexakis(2-methylpropane);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;thiophene.

Molecular Properties

Compound Name	cumene;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;1,4-di(propan-2-yl)triazole;1,5-di(propan-2-yl)triazole;furan;hexakis(2-methylpropane);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;thiophene
PubChem CID	158905021
Molecular Formula	C108H198N20O4S4
Molecular Weight	1969.18 g/mol
Exact Mass	1967.48
IUPAC Name	cumene;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;1,4-di(propan-2-yl)triazole;1,5-di(propan-2-yl)triazole;furan;hexakis(2-methylpropane);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;thiophene
SMILES	CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1ccccc1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnnn1C(C)C.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nnc(C(C)C)o1.CC(C)c1nnc(C(C)C)s1.CC(C)c1nnn(C(C)C)n1.CC(C)c1noc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1.c1ccoc1.c1ccsc1
InChI	InChI=1S/C9H12.2C8H15N3.2C8H14N2O.2C8H14N2S.C7H14N4.C6H9NO.C6H9NS.C4H4O.C4H4S.6C4H10/c1-8(2)9-6-4-3-5-7-9;1-6(2)8-5-11(7(3)4)10-9-8;1-6(2)8-5-9-10-11(8)7(3)4;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-8-10-11(9-7)6(3)4;21-5(2)6-7-3-4-8-6;21-2-4-5-3-1;61-4(2)3/h3-8H,1-2H3;25-7H,1-4H3;55-6H,1-4H3;23-5H,1-2H3;21-4H;64H,1-3H3
InChIKey	JFXYXZSYDAOZJH-UHFFFAOYSA-N
XLogP	35.42
TPSA	286.48 Å²
H-Bond Donors
H-Bond Acceptors	28
Rotatable Bonds	17
Heavy Atoms	136
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1969.18
LogP ≤ 5	35.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Analyze cumene;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;1,4-di(propan-2-yl)triazole;1,5-di(propan-2-yl)triazole;furan;hexakis(2-methylpropane);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;thiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of cumene;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;1,4-di(propan-2-yl)triazole;1,5-di(propan-2-yl)triazole;furan;hexakis(2-methylpropane);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;thiophene?

The IUPAC name of cumene;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;1,4-di(propan-2-yl)triazole;1,5-di(propan-2-yl)triazole;furan;hexakis(2-methylpropane);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;thiophene (CID 158905021) is cumene;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;1,4-di(propan-2-yl)triazole;1,5-di(propan-2-yl)triazole;furan;hexakis(2-methylpropane);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;thiophene.

What is the SMILES notation for cumene;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;1,4-di(propan-2-yl)triazole;1,5-di(propan-2-yl)triazole;furan;hexakis(2-methylpropane);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;thiophene?

The canonical SMILES for cumene;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;1,4-di(propan-2-yl)triazole;1,5-di(propan-2-yl)triazole;furan;hexakis(2-methylpropane);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;thiophene is CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1ccccc1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnnn1C(C)C.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nnc(C(C)C)o1.CC(C)c1nnc(C(C)C)s1.CC(C)c1nnn(C(C)C)n1.CC(C)c1noc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1.c1ccoc1.c1ccsc1.

What is the InChIKey of cumene;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;1,4-di(propan-2-yl)triazole;1,5-di(propan-2-yl)triazole;furan;hexakis(2-methylpropane);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;thiophene?

The InChIKey is JFXYXZSYDAOZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.2C8H15N3.2C8H14N2O.2C8H14N2S.C7H14N4.C6H9NO.C6H9NS.C4H4O.C4H4S.6C4H10/c1-8(2)9-6-4-3-5-7-9;1-6(2)8-5-11(7(3)4)10-9-8;1-6(2)8-5-9-10-11(8)7(3)4;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-9-10-8(11-7)6(3)4;1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-8-10-11(9-7)6(3)4;2*1-5(2)6-7-3-4-8-6;2*1-2-4-5-3-1;6*1-4(2)3/h3-8H,1-2H3;2*5-7H,1-4H3;5*5-6H,1-4H3;2*3-5H,1-2H3;2*1-4H;6*4H,1-3H3.

What are the key properties of cumene;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;1,4-di(propan-2-yl)triazole;1,5-di(propan-2-yl)triazole;furan;hexakis(2-methylpropane);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;thiophene?

Where does this data come from?

All data for cumene;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,5-di(propan-2-yl)tetrazole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;1,4-di(propan-2-yl)triazole;1,5-di(propan-2-yl)triazole;furan;hexakis(2-methylpropane);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;thiophene is sourced from PubChem (CID 158905021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).