6-methyl-2-propan-2-yl-1,3-benzoxazole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole

C61H74N6O2S2 — CID 157470095

IUPAC6-methyl-2-propan-2-yl-1,3-benzoxazole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole

SMILESCC(C)C1=Nc2ccccc2C1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.Cc1ccc2c(c1)N=C(C(C)C)C2.Cc1ccc2nc(C(C)C)oc2c1.Cc1cnc(C(C)C)s1

InChIInChI=1S/C12H15N.C11H13NO.C11H13N.C10H11NO.C10H11NS.C7H11NS/c1-8(2)11-7-10-5-4-9(3)6-12(10)13-11;1-7(2)11-12-9-5-4-8(3)6-10(9)13-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-5(2)7-8-4-6(3)9-7/h4-6,8H,7H2,1-3H3;4-7H,1-3H3;3-6,8H,7H2,1-2H3;2*3-7H,1-2H3;4-5H,1-3H3

InChIKeyBUXVPELGKPOSOK-UHFFFAOYSA-N

MW987.44 g/mol

LogP18.46

Rot. Bonds6

About 6-methyl-2-propan-2-yl-1,3-benzoxazole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole

6-methyl-2-propan-2-yl-1,3-benzoxazole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole (PubChem CID 157470095) has the molecular formula C61H74N6O2S2 and a molecular weight of 987.44 g/mol. Its IUPAC name is 6-methyl-2-propan-2-yl-1,3-benzoxazole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole.

Molecular Properties

Compound Name	6-methyl-2-propan-2-yl-1,3-benzoxazole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole
PubChem CID	157470095
Molecular Formula	C61H74N6O2S2
Molecular Weight	987.44 g/mol
Exact Mass	986.53
IUPAC Name	6-methyl-2-propan-2-yl-1,3-benzoxazole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole
SMILES	CC(C)C1=Nc2ccccc2C1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.Cc1ccc2c(c1)N=C(C(C)C)C2.Cc1ccc2nc(C(C)C)oc2c1.Cc1cnc(C(C)C)s1
InChI	InChI=1S/C12H15N.C11H13NO.C11H13N.C10H11NO.C10H11NS.C7H11NS/c1-8(2)11-7-10-5-4-9(3)6-12(10)13-11;1-7(2)11-12-9-5-4-8(3)6-10(9)13-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;21-7(2)10-11-8-5-3-4-6-9(8)12-10;1-5(2)7-8-4-6(3)9-7/h4-6,8H,7H2,1-3H3;4-7H,1-3H3;3-6,8H,7H2,1-2H3;23-7H,1-2H3;4-5H,1-3H3
InChIKey	BUXVPELGKPOSOK-UHFFFAOYSA-N
XLogP	18.46
TPSA	102.56 Å²
H-Bond Donors
H-Bond Acceptors	10
Rotatable Bonds	6
Heavy Atoms	71
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	987.44
LogP ≤ 5	18.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-propan-2-yl-1,3-benzoxazole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole?

The IUPAC name of 6-methyl-2-propan-2-yl-1,3-benzoxazole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole (CID 157470095) is 6-methyl-2-propan-2-yl-1,3-benzoxazole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole.

What is the SMILES notation for 6-methyl-2-propan-2-yl-1,3-benzoxazole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole?

The canonical SMILES for 6-methyl-2-propan-2-yl-1,3-benzoxazole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole is CC(C)C1=Nc2ccccc2C1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.Cc1ccc2c(c1)N=C(C(C)C)C2.Cc1ccc2nc(C(C)C)oc2c1.Cc1cnc(C(C)C)s1.

What is the InChIKey of 6-methyl-2-propan-2-yl-1,3-benzoxazole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole?

The InChIKey is BUXVPELGKPOSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.C11H13NO.C11H13N.C10H11NO.C10H11NS.C7H11NS/c1-8(2)11-7-10-5-4-9(3)6-12(10)13-11;1-7(2)11-12-9-5-4-8(3)6-10(9)13-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-5(2)7-8-4-6(3)9-7/h4-6,8H,7H2,1-3H3;4-7H,1-3H3;3-6,8H,7H2,1-2H3;2*3-7H,1-2H3;4-5H,1-3H3.

What are the key properties of 6-methyl-2-propan-2-yl-1,3-benzoxazole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole?

6-methyl-2-propan-2-yl-1,3-benzoxazole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole has a molecular weight of 987.44 g/mol, XLogP of 18.46, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-2-propan-2-yl-1,3-benzoxazole;6-methyl-2-propan-2-yl-3H-indole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-indole is sourced from PubChem (CID 157470095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).