ethane;5-propan-2-yl-1,3-benzothiazole

C12H17NS — CID 144711218

IUPACethane;5-propan-2-yl-1,3-benzothiazole
SMILESCC.CC(C)c1ccc2scnc2c1
InChIInChI=1S/C10H11NS.C2H6/c1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-2/h3-7H,1-2H3;1-2H3
InChIKeyLJAVQKVETIPAOZ-UHFFFAOYSA-N
MW207.34 g/mol
LogP4.45
Rot. Bonds1

About ethane;5-propan-2-yl-1,3-benzothiazole

ethane;5-propan-2-yl-1,3-benzothiazole (PubChem CID 144711218) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is ethane;5-propan-2-yl-1,3-benzothiazole.

Molecular Properties

Compound Nameethane;5-propan-2-yl-1,3-benzothiazole
PubChem CID144711218
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Nameethane;5-propan-2-yl-1,3-benzothiazole
SMILESCC.CC(C)c1ccc2scnc2c1
InChIInChI=1S/C10H11NS.C2H6/c1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-2/h3-7H,1-2H3;1-2H3
InChIKeyLJAVQKVETIPAOZ-UHFFFAOYSA-N
XLogP4.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,3-benzothiazol-5-yl)ethanol
CID 45077207
5-(difluoromethyl)-1,3-benzothiazole
CID 84660003
5-pentan-3-yl-1,3-benzothiazole
CID 142928032
5-[1-(6-propan-2-ylquinazolin-2-yl)propan-2-yl]-1,3-benzothiazole
CID 134331916
ethane;6-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
CID 153396887
2-(1,3-benzothiazol-5-yl)-3,3-dimethylbutanoic acid
CID 18613621
5-(1-piperazin-1-ylethyl)-1,3-benzothiazole;dihydrochloride
CID 127264088
azane;5-methyl-1,3-benzothiazole
CID 174920703
5-(3-methylbutyl)-1,3-benzothiazole
CID 58439655
1-(1,3-benzothiazol-6-yl)ethanethiol
CID 167025072
1-(1,3-benzothiazol-6-yl)ethanol
CID 19045355
1,3-benzothiazol-5-ol
CID 3596506

Frequently Asked Questions

What is the IUPAC name of ethane;5-propan-2-yl-1,3-benzothiazole?
The IUPAC name of ethane;5-propan-2-yl-1,3-benzothiazole (CID 144711218) is ethane;5-propan-2-yl-1,3-benzothiazole.
What is the SMILES notation for ethane;5-propan-2-yl-1,3-benzothiazole?
The canonical SMILES for ethane;5-propan-2-yl-1,3-benzothiazole is CC.CC(C)c1ccc2scnc2c1.
What is the InChIKey of ethane;5-propan-2-yl-1,3-benzothiazole?
The InChIKey is LJAVQKVETIPAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS.C2H6/c1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-2/h3-7H,1-2H3;1-2H3.
What are the key properties of ethane;5-propan-2-yl-1,3-benzothiazole?
ethane;5-propan-2-yl-1,3-benzothiazole has a molecular weight of 207.34 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-propan-2-yl-1,3-benzothiazole is sourced from PubChem (CID 144711218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).