2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;5-methyl-2,4-di(propan-2-yl)-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,3-thiazole

C41H67N5S5 — CID 158874979

IUPAC2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;5-methyl-2,4-di(propan-2-yl)-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,3-thiazole
SMILESCc1cnc(C(C)C)s1.Cc1nc(C(C)C)c(C(C)C)s1.Cc1nc(C(C)C)cs1.Cc1sc(C(C)C)nc1C(C)C.Cc1scnc1C(C)C
InChIInChI=1S/2C10H17NS.3C7H11NS/c1-6(2)9-10(7(3)4)12-8(5)11-9;1-6(2)9-8(5)12-10(11-9)7(3)4;1-5(2)7-6(3)9-4-8-7;1-5(2)7-4-9-6(3)8-7;1-5(2)7-8-4-6(3)9-7/h2*6-7H,1-5H3;3*4-5H,1-3H3
InChIKeyJCHYTOSFVWSJHN-UHFFFAOYSA-N
MW790.36 g/mol
LogP15.12
Rot. Bonds7

About 2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;5-methyl-2,4-di(propan-2-yl)-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,3-thiazole

2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;5-methyl-2,4-di(propan-2-yl)-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,3-thiazole (PubChem CID 158874979) has the molecular formula C41H67N5S5 and a molecular weight of 790.36 g/mol. Its IUPAC name is 2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;5-methyl-2,4-di(propan-2-yl)-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;5-methyl-2,4-di(propan-2-yl)-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,3-thiazole
PubChem CID158874979
Molecular FormulaC41H67N5S5
Molecular Weight790.36 g/mol
Exact Mass789.40
IUPAC Name2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;5-methyl-2,4-di(propan-2-yl)-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,3-thiazole
SMILESCc1cnc(C(C)C)s1.Cc1nc(C(C)C)c(C(C)C)s1.Cc1nc(C(C)C)cs1.Cc1sc(C(C)C)nc1C(C)C.Cc1scnc1C(C)C
InChIInChI=1S/2C10H17NS.3C7H11NS/c1-6(2)9-10(7(3)4)12-8(5)11-9;1-6(2)9-8(5)12-10(11-9)7(3)4;1-5(2)7-6(3)9-4-8-7;1-5(2)7-4-9-6(3)8-7;1-5(2)7-8-4-6(3)9-7/h2*6-7H,1-5H3;3*4-5H,1-3H3
InChIKeyJCHYTOSFVWSJHN-UHFFFAOYSA-N
XLogP15.12
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.36
LogP ≤ 515.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;5-methyl-2,4-di(propan-2-yl)-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;5-methyl-2,4-di(propan-2-yl)-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,3-thiazole (CID 158874979) is 2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;5-methyl-2,4-di(propan-2-yl)-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;5-methyl-2,4-di(propan-2-yl)-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;5-methyl-2,4-di(propan-2-yl)-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,3-thiazole is Cc1cnc(C(C)C)s1.Cc1nc(C(C)C)c(C(C)C)s1.Cc1nc(C(C)C)cs1.Cc1sc(C(C)C)nc1C(C)C.Cc1scnc1C(C)C.
What is the InChIKey of 2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;5-methyl-2,4-di(propan-2-yl)-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,3-thiazole?
The InChIKey is JCHYTOSFVWSJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H17NS.3C7H11NS/c1-6(2)9-10(7(3)4)12-8(5)11-9;1-6(2)9-8(5)12-10(11-9)7(3)4;1-5(2)7-6(3)9-4-8-7;1-5(2)7-4-9-6(3)8-7;1-5(2)7-8-4-6(3)9-7/h2*6-7H,1-5H3;3*4-5H,1-3H3.
What are the key properties of 2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;5-methyl-2,4-di(propan-2-yl)-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,3-thiazole?
2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;5-methyl-2,4-di(propan-2-yl)-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,3-thiazole has a molecular weight of 790.36 g/mol, XLogP of 15.12, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;5-methyl-2,4-di(propan-2-yl)-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 158874979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).