2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,2,4-thiadiazole);2-propan-2-yl-1,3-thiazole

C32H45N7OS4 — CID 161227750

IUPAC2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,2,4-thiadiazole);2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1nc2ccccc2s1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1ncns1.CC(C)c1ncns1
InChIInChI=1S/C10H11NS.C6H9NO.C6H9NS.2C5H8N2S/c1-7(2)10-11-8-5-3-4-6-9(8)12-10;2*1-5(2)6-7-3-4-8-6;2*1-4(2)5-6-3-7-8-5/h3-7H,1-2H3;2*3-5H,1-2H3;2*3-4H,1-2H3
InChIKeyUYIQTYAMVVPVFK-UHFFFAOYSA-N
MW672.03 g/mol
LogP10.81
Rot. Bonds5

About 2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,2,4-thiadiazole);2-propan-2-yl-1,3-thiazole

2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,2,4-thiadiazole);2-propan-2-yl-1,3-thiazole (PubChem CID 161227750) has the molecular formula C32H45N7OS4 and a molecular weight of 672.03 g/mol. Its IUPAC name is 2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,2,4-thiadiazole);2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,2,4-thiadiazole);2-propan-2-yl-1,3-thiazole
PubChem CID161227750
Molecular FormulaC32H45N7OS4
Molecular Weight672.03 g/mol
Exact Mass671.26
IUPAC Name2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,2,4-thiadiazole);2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1nc2ccccc2s1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1ncns1.CC(C)c1ncns1
InChIInChI=1S/C10H11NS.C6H9NO.C6H9NS.2C5H8N2S/c1-7(2)10-11-8-5-3-4-6-9(8)12-10;2*1-5(2)6-7-3-4-8-6;2*1-4(2)5-6-3-7-8-5/h3-7H,1-2H3;2*3-5H,1-2H3;2*3-4H,1-2H3
InChIKeyUYIQTYAMVVPVFK-UHFFFAOYSA-N
XLogP10.81
TPSA103.37 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500672.03
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,2,4-thiadiazole);2-propan-2-yl-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

2-[[1,3-Benzothiazol-2-yl-(1,3-thiazol-2-yl)-(1,3-thiazol-2-ylmethoxy)methoxy]-bis(1,3-thiazol-2-yl)methoxy]-1,3-oxazole
CID 57170293
5-Tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2,2-dimethylpropane;1,3-oxazole
CID 159042622
2-methyl-1,3-benzothiazole;2-methyl-1,3-oxazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole
CID 160137614
1,3-Benzothiazole;2-methyl-1,3-oxazole;4-methylpyridine;2-methyl-1,3-thiazole
CID 160159274
2-(1,3-Benzothiazol-2-yl)-1,3-oxazole;2-(1,3-thiazol-2-yl)-1,3-oxazole
CID 174622926
2-{[2-(2-isopropyl-1,3-oxazol-4-yl)-1H-imidazol-1-yl]methyl}-1,3-benzothiazole
CID 56878894

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,2,4-thiadiazole);2-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,2,4-thiadiazole);2-propan-2-yl-1,3-thiazole (CID 161227750) is 2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,2,4-thiadiazole);2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,2,4-thiadiazole);2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,2,4-thiadiazole);2-propan-2-yl-1,3-thiazole is CC(C)c1nc2ccccc2s1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1ncns1.CC(C)c1ncns1.
What is the InChIKey of 2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,2,4-thiadiazole);2-propan-2-yl-1,3-thiazole?
The InChIKey is UYIQTYAMVVPVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS.C6H9NO.C6H9NS.2C5H8N2S/c1-7(2)10-11-8-5-3-4-6-9(8)12-10;2*1-5(2)6-7-3-4-8-6;2*1-4(2)5-6-3-7-8-5/h3-7H,1-2H3;2*3-5H,1-2H3;2*3-4H,1-2H3.
What are the key properties of 2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,2,4-thiadiazole);2-propan-2-yl-1,3-thiazole?
2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,2,4-thiadiazole);2-propan-2-yl-1,3-thiazole has a molecular weight of 672.03 g/mol, XLogP of 10.81, 5 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,2,4-thiadiazole);2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 161227750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).