2-methyl-5-(2-methylpropyl)-1,3-benzothiazole;2-methyl-5-(2-methylpropyl)-1,3-benzoxazole;2-methyl-6-(2-methylpropyl)-1,3-benzoxazole;3-methyl-5-(2-methylpropyl)-1,2-benzoxazole;3-methyl-6-(2-methylpropyl)-1,2-benzoxazole;1-methyl-5-(2-methylpropyl)indazole;5-(2-methylpropyl)-2,3-dihydro-1H-indene;5-(2-methylpropyl)-1H-indazole — IUPAC name, SMILES, InChIKey & properties

Name: 2-methyl-5-(2-methylpropyl)-1,3-benzothiazole;2-methyl-5-(2-methylpropyl)-1,3-benzoxazole;2-methyl-6-(2-methylpropyl)-1,3-benzoxazole;3-methyl-5-(2-methylpropyl)-1,2-benzoxazole;3-methyl-6-(2-methylpropyl)-1,2-benzoxazole;1-methyl-5-(2-methylpropyl)indazole;5-(2-methylpropyl)-2,3-dihydro-1H-indene;5-(2-methylpropyl)-1H-indazole — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 2-methyl-5-(2-methylpropyl)-1,3-benzothiazole;2-methyl-5-(2-methylpropyl)-1,3-benzoxazole;2-methyl-6-(2-methylpropyl)-1,3-benzoxazole;3-methyl-5-(2-methylpropyl)-1,2-benzoxazole;3-methyl-6-(2-methylpropyl)-1,2-benzoxazole;1-methyl-5-(2-methylpropyl)indazole;5-(2-methylpropyl)-2,3-dihydro-1H-indene;5-(2-methylpropyl)-1H-indazole

2-methyl-5-(2-methylpropyl)-1,3-benzothiazole;2-methyl-5-(2-methylpropyl)-1,3-benzoxazole;2-methyl-6-(2-methylpropyl)-1,3-benzoxazole;3-methyl-5-(2-methylpropyl)-1,2-benzoxazole;3-methyl-6-(2-methylpropyl)-1,2-benzoxazole;1-methyl-5-(2-methylpropyl)indazole;5-(2-methylpropyl)-2,3-dihydro-1H-indene;5-(2-methylpropyl)-1H-indazole (PubChem CID 159920849) has the molecular formula C96H123N9O4S and a molecular weight of 1499.17 g/mol. Its IUPAC name is 2-methyl-5-(2-methylpropyl)-1,3-benzothiazole;2-methyl-5-(2-methylpropyl)-1,3-benzoxazole;2-methyl-6-(2-methylpropyl)-1,3-benzoxazole;3-methyl-5-(2-methylpropyl)-1,2-benzoxazole;3-methyl-6-(2-methylpropyl)-1,2-benzoxazole;1-methyl-5-(2-methylpropyl)indazole;5-(2-methylpropyl)-2,3-dihydro-1H-indene;5-(2-methylpropyl)-1H-indazole.

Molecular Properties

Compound Name	2-methyl-5-(2-methylpropyl)-1,3-benzothiazole;2-methyl-5-(2-methylpropyl)-1,3-benzoxazole;2-methyl-6-(2-methylpropyl)-1,3-benzoxazole;3-methyl-5-(2-methylpropyl)-1,2-benzoxazole;3-methyl-6-(2-methylpropyl)-1,2-benzoxazole;1-methyl-5-(2-methylpropyl)indazole;5-(2-methylpropyl)-2,3-dihydro-1H-indene;5-(2-methylpropyl)-1H-indazole
PubChem CID	159920849
Molecular Formula	C96H123N9O4S
Molecular Weight	1499.17 g/mol
Exact Mass	1497.94
IUPAC Name	2-methyl-5-(2-methylpropyl)-1,3-benzothiazole;2-methyl-5-(2-methylpropyl)-1,3-benzoxazole;2-methyl-6-(2-methylpropyl)-1,3-benzoxazole;3-methyl-5-(2-methylpropyl)-1,2-benzoxazole;3-methyl-6-(2-methylpropyl)-1,2-benzoxazole;1-methyl-5-(2-methylpropyl)indazole;5-(2-methylpropyl)-2,3-dihydro-1H-indene;5-(2-methylpropyl)-1H-indazole
SMILES	CC(C)Cc1ccc2[nH]ncc2c1.CC(C)Cc1ccc2c(c1)CCC2.CC(C)Cc1ccc2c(cnn2C)c1.Cc1nc2cc(CC(C)C)ccc2o1.Cc1nc2cc(CC(C)C)ccc2s1.Cc1nc2ccc(CC(C)C)cc2o1.Cc1noc2cc(CC(C)C)ccc12.Cc1noc2ccc(CC(C)C)cc12
InChI	InChI=1S/C13H18.C12H16N2.4C12H15NO.C12H15NS.C11H14N2/c1-10(2)8-11-6-7-12-4-3-5-13(12)9-11;1-9(2)6-10-4-5-12-11(7-10)8-13-14(12)3;1-8(2)6-10-4-5-12-11(7-10)13-9(3)14-12;1-8(2)6-10-4-5-12-11(7-10)9(3)13-14-12;1-8(2)6-10-4-5-11-12(7-10)14-9(3)13-11;1-8(2)6-10-4-5-11-9(3)13-14-12(11)7-10;1-8(2)6-10-4-5-12-11(7-10)13-9(3)14-12;1-8(2)5-9-3-4-11-10(6-9)7-12-13-11/h6-7,9-10H,3-5,8H2,1-2H3;4-5,7-9H,6H2,1-3H3;5*4-5,7-8H,6H2,1-3H3;3-4,6-8H,5H2,1-2H3,(H,12,13)
InChIKey	NYJJEGWKQOFROM-UHFFFAOYSA-N
XLogP	26.05
TPSA	163.51 Å²
H-Bond Donors	1
H-Bond Acceptors	13
Rotatable Bonds	16
Heavy Atoms	110
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1499.17
LogP ≤ 5	26.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Analyze 2-methyl-5-(2-methylpropyl)-1,3-benzothiazole;2-methyl-5-(2-methylpropyl)-1,3-benzoxazole;2-methyl-6-(2-methylpropyl)-1,3-benzoxazole;3-methyl-5-(2-methylpropyl)-1,2-benzoxazole;3-methyl-6-(2-methylpropyl)-1,2-benzoxazole;1-methyl-5-(2-methylpropyl)indazole;5-(2-methylpropyl)-2,3-dihydro-1H-indene;5-(2-methylpropyl)-1H-indazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylpropyl)-1,3-benzothiazole;2-methyl-5-(2-methylpropyl)-1,3-benzoxazole;2-methyl-6-(2-methylpropyl)-1,3-benzoxazole;3-methyl-5-(2-methylpropyl)-1,2-benzoxazole;3-methyl-6-(2-methylpropyl)-1,2-benzoxazole;1-methyl-5-(2-methylpropyl)indazole;5-(2-methylpropyl)-2,3-dihydro-1H-indene;5-(2-methylpropyl)-1H-indazole?

The IUPAC name of 2-methyl-5-(2-methylpropyl)-1,3-benzothiazole;2-methyl-5-(2-methylpropyl)-1,3-benzoxazole;2-methyl-6-(2-methylpropyl)-1,3-benzoxazole;3-methyl-5-(2-methylpropyl)-1,2-benzoxazole;3-methyl-6-(2-methylpropyl)-1,2-benzoxazole;1-methyl-5-(2-methylpropyl)indazole;5-(2-methylpropyl)-2,3-dihydro-1H-indene;5-(2-methylpropyl)-1H-indazole (CID 159920849) is 2-methyl-5-(2-methylpropyl)-1,3-benzothiazole;2-methyl-5-(2-methylpropyl)-1,3-benzoxazole;2-methyl-6-(2-methylpropyl)-1,3-benzoxazole;3-methyl-5-(2-methylpropyl)-1,2-benzoxazole;3-methyl-6-(2-methylpropyl)-1,2-benzoxazole;1-methyl-5-(2-methylpropyl)indazole;5-(2-methylpropyl)-2,3-dihydro-1H-indene;5-(2-methylpropyl)-1H-indazole.

What is the SMILES notation for 2-methyl-5-(2-methylpropyl)-1,3-benzothiazole;2-methyl-5-(2-methylpropyl)-1,3-benzoxazole;2-methyl-6-(2-methylpropyl)-1,3-benzoxazole;3-methyl-5-(2-methylpropyl)-1,2-benzoxazole;3-methyl-6-(2-methylpropyl)-1,2-benzoxazole;1-methyl-5-(2-methylpropyl)indazole;5-(2-methylpropyl)-2,3-dihydro-1H-indene;5-(2-methylpropyl)-1H-indazole?

The canonical SMILES for 2-methyl-5-(2-methylpropyl)-1,3-benzothiazole;2-methyl-5-(2-methylpropyl)-1,3-benzoxazole;2-methyl-6-(2-methylpropyl)-1,3-benzoxazole;3-methyl-5-(2-methylpropyl)-1,2-benzoxazole;3-methyl-6-(2-methylpropyl)-1,2-benzoxazole;1-methyl-5-(2-methylpropyl)indazole;5-(2-methylpropyl)-2,3-dihydro-1H-indene;5-(2-methylpropyl)-1H-indazole is CC(C)Cc1ccc2[nH]ncc2c1.CC(C)Cc1ccc2c(c1)CCC2.CC(C)Cc1ccc2c(cnn2C)c1.Cc1nc2cc(CC(C)C)ccc2o1.Cc1nc2cc(CC(C)C)ccc2s1.Cc1nc2ccc(CC(C)C)cc2o1.Cc1noc2cc(CC(C)C)ccc12.Cc1noc2ccc(CC(C)C)cc12.

What is the InChIKey of 2-methyl-5-(2-methylpropyl)-1,3-benzothiazole;2-methyl-5-(2-methylpropyl)-1,3-benzoxazole;2-methyl-6-(2-methylpropyl)-1,3-benzoxazole;3-methyl-5-(2-methylpropyl)-1,2-benzoxazole;3-methyl-6-(2-methylpropyl)-1,2-benzoxazole;1-methyl-5-(2-methylpropyl)indazole;5-(2-methylpropyl)-2,3-dihydro-1H-indene;5-(2-methylpropyl)-1H-indazole?

The InChIKey is NYJJEGWKQOFROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18.C12H16N2.4C12H15NO.C12H15NS.C11H14N2/c1-10(2)8-11-6-7-12-4-3-5-13(12)9-11;1-9(2)6-10-4-5-12-11(7-10)8-13-14(12)3;1-8(2)6-10-4-5-12-11(7-10)13-9(3)14-12;1-8(2)6-10-4-5-12-11(7-10)9(3)13-14-12;1-8(2)6-10-4-5-11-12(7-10)14-9(3)13-11;1-8(2)6-10-4-5-11-9(3)13-14-12(11)7-10;1-8(2)6-10-4-5-12-11(7-10)13-9(3)14-12;1-8(2)5-9-3-4-11-10(6-9)7-12-13-11/h6-7,9-10H,3-5,8H2,1-2H3;4-5,7-9H,6H2,1-3H3;5*4-5,7-8H,6H2,1-3H3;3-4,6-8H,5H2,1-2H3,(H,12,13).

What are the key properties of 2-methyl-5-(2-methylpropyl)-1,3-benzothiazole;2-methyl-5-(2-methylpropyl)-1,3-benzoxazole;2-methyl-6-(2-methylpropyl)-1,3-benzoxazole;3-methyl-5-(2-methylpropyl)-1,2-benzoxazole;3-methyl-6-(2-methylpropyl)-1,2-benzoxazole;1-methyl-5-(2-methylpropyl)indazole;5-(2-methylpropyl)-2,3-dihydro-1H-indene;5-(2-methylpropyl)-1H-indazole?

Where does this data come from?

All data for 2-methyl-5-(2-methylpropyl)-1,3-benzothiazole;2-methyl-5-(2-methylpropyl)-1,3-benzoxazole;2-methyl-6-(2-methylpropyl)-1,3-benzoxazole;3-methyl-5-(2-methylpropyl)-1,2-benzoxazole;3-methyl-6-(2-methylpropyl)-1,2-benzoxazole;1-methyl-5-(2-methylpropyl)indazole;5-(2-methylpropyl)-2,3-dihydro-1H-indene;5-(2-methylpropyl)-1H-indazole is sourced from PubChem (CID 159920849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).