2,5-bis(2-methylpropyl)-1,3-thiazole;1-[(E)-3-methylbut-1-enyl]-3-propan-2-ylbenzene;2-(3-methylbutyl)-5-propan-2-ylfuran;2-(3-methylbutyl)-4-propan-2-ylpyridine;2-(3-methylbutyl)-5-propan-2-yl-1,3-thiazole;2-(3-methylbutyl)-5-propan-2-ylthiophene

C73H119N3OS3 — CID 158299457

IUPAC2,5-bis(2-methylpropyl)-1,3-thiazole;1-[(E)-3-methylbut-1-enyl]-3-propan-2-ylbenzene;2-(3-methylbutyl)-5-propan-2-ylfuran;2-(3-methylbutyl)-4-propan-2-ylpyridine;2-(3-methylbutyl)-5-propan-2-yl-1,3-thiazole;2-(3-methylbutyl)-5-propan-2-ylthiophene
SMILESCC(C)/C=C/c1cccc(C(C)C)c1.CC(C)CCc1cc(C(C)C)ccn1.CC(C)CCc1ccc(C(C)C)o1.CC(C)CCc1ccc(C(C)C)s1.CC(C)CCc1ncc(C(C)C)s1.CC(C)Cc1cnc(CC(C)C)s1
InChIInChI=1S/C14H20.C13H21N.C12H20O.C12H20S.2C11H19NS/c1-11(2)8-9-13-6-5-7-14(10-13)12(3)4;1-10(2)5-6-13-9-12(11(3)4)7-8-14-13;2*1-9(2)5-6-11-7-8-12(13-11)10(3)4;1-8(2)5-10-7-12-11(13-10)6-9(3)4;1-8(2)5-6-11-12-7-10(13-11)9(3)4/h5-12H,1-4H3;7-11H,5-6H2,1-4H3;2*7-10H,5-6H2,1-4H3;2*7-9H,5-6H2,1-4H3/b9-8+;;;;;
InChIKeyGMIAQNYHKGACFA-IWLYPTDSSA-N
MW1150.98 g/mol
LogP24.12
Rot. Bonds23

About 2,5-bis(2-methylpropyl)-1,3-thiazole;1-[(E)-3-methylbut-1-enyl]-3-propan-2-ylbenzene;2-(3-methylbutyl)-5-propan-2-ylfuran;2-(3-methylbutyl)-4-propan-2-ylpyridine;2-(3-methylbutyl)-5-propan-2-yl-1,3-thiazole;2-(3-methylbutyl)-5-propan-2-ylthiophene

2,5-bis(2-methylpropyl)-1,3-thiazole;1-[(E)-3-methylbut-1-enyl]-3-propan-2-ylbenzene;2-(3-methylbutyl)-5-propan-2-ylfuran;2-(3-methylbutyl)-4-propan-2-ylpyridine;2-(3-methylbutyl)-5-propan-2-yl-1,3-thiazole;2-(3-methylbutyl)-5-propan-2-ylthiophene (PubChem CID 158299457) has the molecular formula C73H119N3OS3 and a molecular weight of 1150.98 g/mol. Its IUPAC name is 2,5-bis(2-methylpropyl)-1,3-thiazole;1-[(E)-3-methylbut-1-enyl]-3-propan-2-ylbenzene;2-(3-methylbutyl)-5-propan-2-ylfuran;2-(3-methylbutyl)-4-propan-2-ylpyridine;2-(3-methylbutyl)-5-propan-2-yl-1,3-thiazole;2-(3-methylbutyl)-5-propan-2-ylthiophene.

Molecular Properties

Compound Name2,5-bis(2-methylpropyl)-1,3-thiazole;1-[(E)-3-methylbut-1-enyl]-3-propan-2-ylbenzene;2-(3-methylbutyl)-5-propan-2-ylfuran;2-(3-methylbutyl)-4-propan-2-ylpyridine;2-(3-methylbutyl)-5-propan-2-yl-1,3-thiazole;2-(3-methylbutyl)-5-propan-2-ylthiophene
PubChem CID158299457
Molecular FormulaC73H119N3OS3
Molecular Weight1150.98 g/mol
Exact Mass1149.85
IUPAC Name2,5-bis(2-methylpropyl)-1,3-thiazole;1-[(E)-3-methylbut-1-enyl]-3-propan-2-ylbenzene;2-(3-methylbutyl)-5-propan-2-ylfuran;2-(3-methylbutyl)-4-propan-2-ylpyridine;2-(3-methylbutyl)-5-propan-2-yl-1,3-thiazole;2-(3-methylbutyl)-5-propan-2-ylthiophene
SMILESCC(C)/C=C/c1cccc(C(C)C)c1.CC(C)CCc1cc(C(C)C)ccn1.CC(C)CCc1ccc(C(C)C)o1.CC(C)CCc1ccc(C(C)C)s1.CC(C)CCc1ncc(C(C)C)s1.CC(C)Cc1cnc(CC(C)C)s1
InChIInChI=1S/C14H20.C13H21N.C12H20O.C12H20S.2C11H19NS/c1-11(2)8-9-13-6-5-7-14(10-13)12(3)4;1-10(2)5-6-13-9-12(11(3)4)7-8-14-13;2*1-9(2)5-6-11-7-8-12(13-11)10(3)4;1-8(2)5-10-7-12-11(13-10)6-9(3)4;1-8(2)5-6-11-12-7-10(13-11)9(3)4/h5-12H,1-4H3;7-11H,5-6H2,1-4H3;2*7-10H,5-6H2,1-4H3;2*7-9H,5-6H2,1-4H3/b9-8+;;;;;
InChIKeyGMIAQNYHKGACFA-IWLYPTDSSA-N
XLogP24.12
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds23
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001150.98
LogP ≤ 524.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2,5-bis(2-methylpropyl)-1,3-thiazole;1-[(E)-3-methylbut-1-enyl]-3-propan-2-ylbenzene;2-(3-methylbutyl)-5-propan-2-ylfuran;2-(3-methylbutyl)-4-propan-2-ylpyridine;2-(3-methylbutyl)-5-propan-2-yl-1,3-thiazole;2-(3-methylbutyl)-5-propan-2-ylthiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2-methylpropyl)-1,3-thiazole;1-[(E)-3-methylbut-1-enyl]-3-propan-2-ylbenzene;2-(3-methylbutyl)-5-propan-2-ylfuran;2-(3-methylbutyl)-4-propan-2-ylpyridine;2-(3-methylbutyl)-5-propan-2-yl-1,3-thiazole;2-(3-methylbutyl)-5-propan-2-ylthiophene?
The IUPAC name of 2,5-bis(2-methylpropyl)-1,3-thiazole;1-[(E)-3-methylbut-1-enyl]-3-propan-2-ylbenzene;2-(3-methylbutyl)-5-propan-2-ylfuran;2-(3-methylbutyl)-4-propan-2-ylpyridine;2-(3-methylbutyl)-5-propan-2-yl-1,3-thiazole;2-(3-methylbutyl)-5-propan-2-ylthiophene (CID 158299457) is 2,5-bis(2-methylpropyl)-1,3-thiazole;1-[(E)-3-methylbut-1-enyl]-3-propan-2-ylbenzene;2-(3-methylbutyl)-5-propan-2-ylfuran;2-(3-methylbutyl)-4-propan-2-ylpyridine;2-(3-methylbutyl)-5-propan-2-yl-1,3-thiazole;2-(3-methylbutyl)-5-propan-2-ylthiophene.
What is the SMILES notation for 2,5-bis(2-methylpropyl)-1,3-thiazole;1-[(E)-3-methylbut-1-enyl]-3-propan-2-ylbenzene;2-(3-methylbutyl)-5-propan-2-ylfuran;2-(3-methylbutyl)-4-propan-2-ylpyridine;2-(3-methylbutyl)-5-propan-2-yl-1,3-thiazole;2-(3-methylbutyl)-5-propan-2-ylthiophene?
The canonical SMILES for 2,5-bis(2-methylpropyl)-1,3-thiazole;1-[(E)-3-methylbut-1-enyl]-3-propan-2-ylbenzene;2-(3-methylbutyl)-5-propan-2-ylfuran;2-(3-methylbutyl)-4-propan-2-ylpyridine;2-(3-methylbutyl)-5-propan-2-yl-1,3-thiazole;2-(3-methylbutyl)-5-propan-2-ylthiophene is CC(C)/C=C/c1cccc(C(C)C)c1.CC(C)CCc1cc(C(C)C)ccn1.CC(C)CCc1ccc(C(C)C)o1.CC(C)CCc1ccc(C(C)C)s1.CC(C)CCc1ncc(C(C)C)s1.CC(C)Cc1cnc(CC(C)C)s1.
What is the InChIKey of 2,5-bis(2-methylpropyl)-1,3-thiazole;1-[(E)-3-methylbut-1-enyl]-3-propan-2-ylbenzene;2-(3-methylbutyl)-5-propan-2-ylfuran;2-(3-methylbutyl)-4-propan-2-ylpyridine;2-(3-methylbutyl)-5-propan-2-yl-1,3-thiazole;2-(3-methylbutyl)-5-propan-2-ylthiophene?
The InChIKey is GMIAQNYHKGACFA-IWLYPTDSSA-N. The full InChI is InChI=1S/C14H20.C13H21N.C12H20O.C12H20S.2C11H19NS/c1-11(2)8-9-13-6-5-7-14(10-13)12(3)4;1-10(2)5-6-13-9-12(11(3)4)7-8-14-13;2*1-9(2)5-6-11-7-8-12(13-11)10(3)4;1-8(2)5-10-7-12-11(13-10)6-9(3)4;1-8(2)5-6-11-12-7-10(13-11)9(3)4/h5-12H,1-4H3;7-11H,5-6H2,1-4H3;2*7-10H,5-6H2,1-4H3;2*7-9H,5-6H2,1-4H3/b9-8+;;;;;.
What are the key properties of 2,5-bis(2-methylpropyl)-1,3-thiazole;1-[(E)-3-methylbut-1-enyl]-3-propan-2-ylbenzene;2-(3-methylbutyl)-5-propan-2-ylfuran;2-(3-methylbutyl)-4-propan-2-ylpyridine;2-(3-methylbutyl)-5-propan-2-yl-1,3-thiazole;2-(3-methylbutyl)-5-propan-2-ylthiophene?
2,5-bis(2-methylpropyl)-1,3-thiazole;1-[(E)-3-methylbut-1-enyl]-3-propan-2-ylbenzene;2-(3-methylbutyl)-5-propan-2-ylfuran;2-(3-methylbutyl)-4-propan-2-ylpyridine;2-(3-methylbutyl)-5-propan-2-yl-1,3-thiazole;2-(3-methylbutyl)-5-propan-2-ylthiophene has a molecular weight of 1150.98 g/mol, XLogP of 24.12, 23 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-methylpropyl)-1,3-thiazole;1-[(E)-3-methylbut-1-enyl]-3-propan-2-ylbenzene;2-(3-methylbutyl)-5-propan-2-ylfuran;2-(3-methylbutyl)-4-propan-2-ylpyridine;2-(3-methylbutyl)-5-propan-2-yl-1,3-thiazole;2-(3-methylbutyl)-5-propan-2-ylthiophene is sourced from PubChem (CID 158299457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).