5-methyl-3-phenyl-6-propan-2-yl-1,2-benzothiazole;5-methyl-3-phenyl-6-propan-2-yl-1,2-benzoxazole;6-methyl-3-phenyl-5-propan-2-yl-1,2-benzoxazole;5-methyl-6-propan-2-yl-1,2-benzothiazole;6-methyl-5-propan-2-yl-1,2-benzothiazole;5-methyl-6-propan-2-yl-1,2-benzoxazole;5-methyl-6-propan-2-yl-1,3-benzoxazole;6-methyl-5-propan-2-yl-1,2-benzoxazole

C106H116N8O5S3 — CID 159946032

IUPAC5-methyl-3-phenyl-6-propan-2-yl-1,2-benzothiazole;5-methyl-3-phenyl-6-propan-2-yl-1,2-benzoxazole;6-methyl-3-phenyl-5-propan-2-yl-1,2-benzoxazole;5-methyl-6-propan-2-yl-1,2-benzothiazole;6-methyl-5-propan-2-yl-1,2-benzothiazole;5-methyl-6-propan-2-yl-1,2-benzoxazole;5-methyl-6-propan-2-yl-1,3-benzoxazole;6-methyl-5-propan-2-yl-1,2-benzoxazole
SMILESCc1cc2c(-c3ccccc3)noc2cc1C(C)C.Cc1cc2c(-c3ccccc3)nsc2cc1C(C)C.Cc1cc2cnoc2cc1C(C)C.Cc1cc2cnsc2cc1C(C)C.Cc1cc2ncoc2cc1C(C)C.Cc1cc2onc(-c3ccccc3)c2cc1C(C)C.Cc1cc2oncc2cc1C(C)C.Cc1cc2sncc2cc1C(C)C
InChIInChI=1S/2C17H17NO.C17H17NS.3C11H13NO.2C11H13NS/c1-11(2)14-10-15-16(9-12(14)3)19-18-17(15)13-7-5-4-6-8-13;2*1-11(2)14-10-16-15(9-12(14)3)17(18-19-16)13-7-5-4-6-8-13;1-7(2)9-5-11-10(4-8(9)3)12-6-13-11;1-7(2)10-5-9-6-12-13-11(9)4-8(10)3;1-7(2)10-5-11-9(4-8(10)3)6-12-13-11;1-7(2)10-5-9-6-12-13-11(9)4-8(10)3;1-7(2)10-5-11-9(4-8(10)3)6-12-13-11/h3*4-11H,1-3H3;5*4-7H,1-3H3
InChIKeyOBMPLITVXZAYPP-UHFFFAOYSA-N
MW1678.35 g/mol
LogP32.48
Rot. Bonds11

About 5-methyl-3-phenyl-6-propan-2-yl-1,2-benzothiazole;5-methyl-3-phenyl-6-propan-2-yl-1,2-benzoxazole;6-methyl-3-phenyl-5-propan-2-yl-1,2-benzoxazole;5-methyl-6-propan-2-yl-1,2-benzothiazole;6-methyl-5-propan-2-yl-1,2-benzothiazole;5-methyl-6-propan-2-yl-1,2-benzoxazole;5-methyl-6-propan-2-yl-1,3-benzoxazole;6-methyl-5-propan-2-yl-1,2-benzoxazole

5-methyl-3-phenyl-6-propan-2-yl-1,2-benzothiazole;5-methyl-3-phenyl-6-propan-2-yl-1,2-benzoxazole;6-methyl-3-phenyl-5-propan-2-yl-1,2-benzoxazole;5-methyl-6-propan-2-yl-1,2-benzothiazole;6-methyl-5-propan-2-yl-1,2-benzothiazole;5-methyl-6-propan-2-yl-1,2-benzoxazole;5-methyl-6-propan-2-yl-1,3-benzoxazole;6-methyl-5-propan-2-yl-1,2-benzoxazole (PubChem CID 159946032) has the molecular formula C106H116N8O5S3 and a molecular weight of 1678.35 g/mol. Its IUPAC name is 5-methyl-3-phenyl-6-propan-2-yl-1,2-benzothiazole;5-methyl-3-phenyl-6-propan-2-yl-1,2-benzoxazole;6-methyl-3-phenyl-5-propan-2-yl-1,2-benzoxazole;5-methyl-6-propan-2-yl-1,2-benzothiazole;6-methyl-5-propan-2-yl-1,2-benzothiazole;5-methyl-6-propan-2-yl-1,2-benzoxazole;5-methyl-6-propan-2-yl-1,3-benzoxazole;6-methyl-5-propan-2-yl-1,2-benzoxazole.

Molecular Properties

Compound Name5-methyl-3-phenyl-6-propan-2-yl-1,2-benzothiazole;5-methyl-3-phenyl-6-propan-2-yl-1,2-benzoxazole;6-methyl-3-phenyl-5-propan-2-yl-1,2-benzoxazole;5-methyl-6-propan-2-yl-1,2-benzothiazole;6-methyl-5-propan-2-yl-1,2-benzothiazole;5-methyl-6-propan-2-yl-1,2-benzoxazole;5-methyl-6-propan-2-yl-1,3-benzoxazole;6-methyl-5-propan-2-yl-1,2-benzoxazole
PubChem CID159946032
Molecular FormulaC106H116N8O5S3
Molecular Weight1678.35 g/mol
Exact Mass1676.82
IUPAC Name5-methyl-3-phenyl-6-propan-2-yl-1,2-benzothiazole;5-methyl-3-phenyl-6-propan-2-yl-1,2-benzoxazole;6-methyl-3-phenyl-5-propan-2-yl-1,2-benzoxazole;5-methyl-6-propan-2-yl-1,2-benzothiazole;6-methyl-5-propan-2-yl-1,2-benzothiazole;5-methyl-6-propan-2-yl-1,2-benzoxazole;5-methyl-6-propan-2-yl-1,3-benzoxazole;6-methyl-5-propan-2-yl-1,2-benzoxazole
SMILESCc1cc2c(-c3ccccc3)noc2cc1C(C)C.Cc1cc2c(-c3ccccc3)nsc2cc1C(C)C.Cc1cc2cnoc2cc1C(C)C.Cc1cc2cnsc2cc1C(C)C.Cc1cc2ncoc2cc1C(C)C.Cc1cc2onc(-c3ccccc3)c2cc1C(C)C.Cc1cc2oncc2cc1C(C)C.Cc1cc2sncc2cc1C(C)C
InChIInChI=1S/2C17H17NO.C17H17NS.3C11H13NO.2C11H13NS/c1-11(2)14-10-15-16(9-12(14)3)19-18-17(15)13-7-5-4-6-8-13;2*1-11(2)14-10-16-15(9-12(14)3)17(18-19-16)13-7-5-4-6-8-13;1-7(2)9-5-11-10(4-8(9)3)12-6-13-11;1-7(2)10-5-9-6-12-13-11(9)4-8(10)3;1-7(2)10-5-11-9(4-8(10)3)6-12-13-11;1-7(2)10-5-9-6-12-13-11(9)4-8(10)3;1-7(2)10-5-11-9(4-8(10)3)6-12-13-11/h3*4-11H,1-3H3;5*4-7H,1-3H3
InChIKeyOBMPLITVXZAYPP-UHFFFAOYSA-N
XLogP32.48
TPSA168.82 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001678.35
LogP ≤ 532.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 5-methyl-3-phenyl-6-propan-2-yl-1,2-benzothiazole;5-methyl-3-phenyl-6-propan-2-yl-1,2-benzoxazole;6-methyl-3-phenyl-5-propan-2-yl-1,2-benzoxazole;5-methyl-6-propan-2-yl-1,2-benzothiazole;6-methyl-5-propan-2-yl-1,2-benzothiazole;5-methyl-6-propan-2-yl-1,2-benzoxazole;5-methyl-6-propan-2-yl-1,3-benzoxazole;6-methyl-5-propan-2-yl-1,2-benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-6-propan-2-yl-1,2-benzothiazole;5-methyl-3-phenyl-6-propan-2-yl-1,2-benzoxazole;6-methyl-3-phenyl-5-propan-2-yl-1,2-benzoxazole;5-methyl-6-propan-2-yl-1,2-benzothiazole;6-methyl-5-propan-2-yl-1,2-benzothiazole;5-methyl-6-propan-2-yl-1,2-benzoxazole;5-methyl-6-propan-2-yl-1,3-benzoxazole;6-methyl-5-propan-2-yl-1,2-benzoxazole?
The IUPAC name of 5-methyl-3-phenyl-6-propan-2-yl-1,2-benzothiazole;5-methyl-3-phenyl-6-propan-2-yl-1,2-benzoxazole;6-methyl-3-phenyl-5-propan-2-yl-1,2-benzoxazole;5-methyl-6-propan-2-yl-1,2-benzothiazole;6-methyl-5-propan-2-yl-1,2-benzothiazole;5-methyl-6-propan-2-yl-1,2-benzoxazole;5-methyl-6-propan-2-yl-1,3-benzoxazole;6-methyl-5-propan-2-yl-1,2-benzoxazole (CID 159946032) is 5-methyl-3-phenyl-6-propan-2-yl-1,2-benzothiazole;5-methyl-3-phenyl-6-propan-2-yl-1,2-benzoxazole;6-methyl-3-phenyl-5-propan-2-yl-1,2-benzoxazole;5-methyl-6-propan-2-yl-1,2-benzothiazole;6-methyl-5-propan-2-yl-1,2-benzothiazole;5-methyl-6-propan-2-yl-1,2-benzoxazole;5-methyl-6-propan-2-yl-1,3-benzoxazole;6-methyl-5-propan-2-yl-1,2-benzoxazole.
What is the SMILES notation for 5-methyl-3-phenyl-6-propan-2-yl-1,2-benzothiazole;5-methyl-3-phenyl-6-propan-2-yl-1,2-benzoxazole;6-methyl-3-phenyl-5-propan-2-yl-1,2-benzoxazole;5-methyl-6-propan-2-yl-1,2-benzothiazole;6-methyl-5-propan-2-yl-1,2-benzothiazole;5-methyl-6-propan-2-yl-1,2-benzoxazole;5-methyl-6-propan-2-yl-1,3-benzoxazole;6-methyl-5-propan-2-yl-1,2-benzoxazole?
The canonical SMILES for 5-methyl-3-phenyl-6-propan-2-yl-1,2-benzothiazole;5-methyl-3-phenyl-6-propan-2-yl-1,2-benzoxazole;6-methyl-3-phenyl-5-propan-2-yl-1,2-benzoxazole;5-methyl-6-propan-2-yl-1,2-benzothiazole;6-methyl-5-propan-2-yl-1,2-benzothiazole;5-methyl-6-propan-2-yl-1,2-benzoxazole;5-methyl-6-propan-2-yl-1,3-benzoxazole;6-methyl-5-propan-2-yl-1,2-benzoxazole is Cc1cc2c(-c3ccccc3)noc2cc1C(C)C.Cc1cc2c(-c3ccccc3)nsc2cc1C(C)C.Cc1cc2cnoc2cc1C(C)C.Cc1cc2cnsc2cc1C(C)C.Cc1cc2ncoc2cc1C(C)C.Cc1cc2onc(-c3ccccc3)c2cc1C(C)C.Cc1cc2oncc2cc1C(C)C.Cc1cc2sncc2cc1C(C)C.
What is the InChIKey of 5-methyl-3-phenyl-6-propan-2-yl-1,2-benzothiazole;5-methyl-3-phenyl-6-propan-2-yl-1,2-benzoxazole;6-methyl-3-phenyl-5-propan-2-yl-1,2-benzoxazole;5-methyl-6-propan-2-yl-1,2-benzothiazole;6-methyl-5-propan-2-yl-1,2-benzothiazole;5-methyl-6-propan-2-yl-1,2-benzoxazole;5-methyl-6-propan-2-yl-1,3-benzoxazole;6-methyl-5-propan-2-yl-1,2-benzoxazole?
The InChIKey is OBMPLITVXZAYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H17NO.C17H17NS.3C11H13NO.2C11H13NS/c1-11(2)14-10-15-16(9-12(14)3)19-18-17(15)13-7-5-4-6-8-13;2*1-11(2)14-10-16-15(9-12(14)3)17(18-19-16)13-7-5-4-6-8-13;1-7(2)9-5-11-10(4-8(9)3)12-6-13-11;1-7(2)10-5-9-6-12-13-11(9)4-8(10)3;1-7(2)10-5-11-9(4-8(10)3)6-12-13-11;1-7(2)10-5-9-6-12-13-11(9)4-8(10)3;1-7(2)10-5-11-9(4-8(10)3)6-12-13-11/h3*4-11H,1-3H3;5*4-7H,1-3H3.
What are the key properties of 5-methyl-3-phenyl-6-propan-2-yl-1,2-benzothiazole;5-methyl-3-phenyl-6-propan-2-yl-1,2-benzoxazole;6-methyl-3-phenyl-5-propan-2-yl-1,2-benzoxazole;5-methyl-6-propan-2-yl-1,2-benzothiazole;6-methyl-5-propan-2-yl-1,2-benzothiazole;5-methyl-6-propan-2-yl-1,2-benzoxazole;5-methyl-6-propan-2-yl-1,3-benzoxazole;6-methyl-5-propan-2-yl-1,2-benzoxazole?
5-methyl-3-phenyl-6-propan-2-yl-1,2-benzothiazole;5-methyl-3-phenyl-6-propan-2-yl-1,2-benzoxazole;6-methyl-3-phenyl-5-propan-2-yl-1,2-benzoxazole;5-methyl-6-propan-2-yl-1,2-benzothiazole;6-methyl-5-propan-2-yl-1,2-benzothiazole;5-methyl-6-propan-2-yl-1,2-benzoxazole;5-methyl-6-propan-2-yl-1,3-benzoxazole;6-methyl-5-propan-2-yl-1,2-benzoxazole has a molecular weight of 1678.35 g/mol, XLogP of 32.48, 11 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-6-propan-2-yl-1,2-benzothiazole;5-methyl-3-phenyl-6-propan-2-yl-1,2-benzoxazole;6-methyl-3-phenyl-5-propan-2-yl-1,2-benzoxazole;5-methyl-6-propan-2-yl-1,2-benzothiazole;6-methyl-5-propan-2-yl-1,2-benzothiazole;5-methyl-6-propan-2-yl-1,2-benzoxazole;5-methyl-6-propan-2-yl-1,3-benzoxazole;6-methyl-5-propan-2-yl-1,2-benzoxazole is sourced from PubChem (CID 159946032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).