2-(2-methylpropyl)-1,3-benzothiazole;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)imidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene

C109H162N10O2S7 — CID 158368118

About 2-(2-methylpropyl)-1,3-benzothiazole;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)imidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene

2-(2-methylpropyl)-1,3-benzothiazole;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)imidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene (PubChem CID 158368118) has the molecular formula C109H162N10O2S7 and a molecular weight of 1869.03 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1,3-benzothiazole;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)imidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene.

Molecular Properties

• Compound Name: 2-(2-methylpropyl)-1,3-benzothiazole;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)imidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene
• PubChem CID: 158368118
• Molecular Formula: C109H162N10O2S7
• Molecular Weight: 1869.03 g/mol
• Exact Mass: 1867.09
• IUPAC Name: 2-(2-methylpropyl)-1,3-benzothiazole;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)imidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene
• SMILES: CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccco1.CC(C)Cc1cccs1.CC(C)Cc1ccncc1.CC(C)Cc1ccoc1.CC(C)Cc1ccsc1.CC(C)Cc1cncs1.CC(C)Cc1cscn1.CC(C)Cc1nc2c(s1)CCCC2.CC(C)Cc1nc2ccccc2s1.CC(C)Cc1nccs1.CC(C)Cn1ccnc1
• InChI: InChI=1S/C11H17NS.C11H13NS.3C9H13N.2C8H12O.2C8H12S.C7H12N2.3C7H11NS/c2*1-8(2)7-11-12-9-5-3-4-6-10(9)13-11;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-7(2)5-8-3-4-9-6-8;1-7(2)6-8-4-3-5-9-8;1-7(2)5-8-3-4-9-6-8;1-7(2)6-8-4-3-5-9-8;1-7(2)5-9-4-3-8-6-9;1-6(2)3-7-4-9-5-8-7;1-6(2)3-7-4-8-5-9-7;1-6(2)5-7-8-3-4-9-7/h8H,3-7H2,1-2H3;3-6,8H,7H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;3-4,6-7H,5H2,1-2H3;2*4-6H,3H2,1-2H3;3-4,6H,5H2,1-2H3
• InChIKey: GUGVEYGGTQLHMX-UHFFFAOYSA-N
• XLogP: 32.97
• TPSA: 147.22 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 26
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1869.03
LogP ≤ 5	32.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1,3-benzothiazole;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)imidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene?

The IUPAC name of 2-(2-methylpropyl)-1,3-benzothiazole;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)imidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene (CID 158368118) is 2-(2-methylpropyl)-1,3-benzothiazole;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)imidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene.

What is the SMILES notation for 2-(2-methylpropyl)-1,3-benzothiazole;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)imidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene?

The canonical SMILES for 2-(2-methylpropyl)-1,3-benzothiazole;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)imidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene is CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccco1.CC(C)Cc1cccs1.CC(C)Cc1ccncc1.CC(C)Cc1ccoc1.CC(C)Cc1ccsc1.CC(C)Cc1cncs1.CC(C)Cc1cscn1.CC(C)Cc1nc2c(s1)CCCC2.CC(C)Cc1nc2ccccc2s1.CC(C)Cc1nccs1.CC(C)Cn1ccnc1.

What is the InChIKey of 2-(2-methylpropyl)-1,3-benzothiazole;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)imidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene?

The InChIKey is GUGVEYGGTQLHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS.C11H13NS.3C9H13N.2C8H12O.2C8H12S.C7H12N2.3C7H11NS/c2*1-8(2)7-11-12-9-5-3-4-6-10(9)13-11;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-7(2)5-8-3-4-9-6-8;1-7(2)6-8-4-3-5-9-8;1-7(2)5-8-3-4-9-6-8;1-7(2)6-8-4-3-5-9-8;1-7(2)5-9-4-3-8-6-9;1-6(2)3-7-4-9-5-8-7;1-6(2)3-7-4-8-5-9-7;1-6(2)5-7-8-3-4-9-7/h8H,3-7H2,1-2H3;3-6,8H,7H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;3-4,6-7H,5H2,1-2H3;2*4-6H,3H2,1-2H3;3-4,6H,5H2,1-2H3.

What are the key properties of 2-(2-methylpropyl)-1,3-benzothiazole;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)imidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene?

2-(2-methylpropyl)-1,3-benzothiazole;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)imidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene has a molecular weight of 1869.03 g/mol, XLogP of 32.97, 26 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methylpropyl)-1,3-benzothiazole;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)imidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene is sourced from PubChem (CID 158368118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).