ethane;7-propan-2-yl-1,2-benzothiazole

C12H17NS — CID 171807326

IUPACethane;7-propan-2-yl-1,2-benzothiazole
SMILESCC.CC(C)c1cccc2cnsc12
InChIInChI=1S/C10H11NS.C2H6/c1-7(2)9-5-3-4-8-6-11-12-10(8)9;1-2/h3-7H,1-2H3;1-2H3
InChIKeyIVCJXHDJKXFYNW-UHFFFAOYSA-N
MW207.34 g/mol
LogP4.45
Rot. Bonds1

About ethane;7-propan-2-yl-1,2-benzothiazole

ethane;7-propan-2-yl-1,2-benzothiazole (PubChem CID 171807326) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is ethane;7-propan-2-yl-1,2-benzothiazole.

Molecular Properties

Compound Nameethane;7-propan-2-yl-1,2-benzothiazole
PubChem CID171807326
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Nameethane;7-propan-2-yl-1,2-benzothiazole
SMILESCC.CC(C)c1cccc2cnsc12
InChIInChI=1S/C10H11NS.C2H6/c1-7(2)9-5-3-4-8-6-11-12-10(8)9;1-2/h3-7H,1-2H3;1-2H3
InChIKeyIVCJXHDJKXFYNW-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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Frequently Asked Questions

What is the IUPAC name of ethane;7-propan-2-yl-1,2-benzothiazole?
The IUPAC name of ethane;7-propan-2-yl-1,2-benzothiazole (CID 171807326) is ethane;7-propan-2-yl-1,2-benzothiazole.
What is the SMILES notation for ethane;7-propan-2-yl-1,2-benzothiazole?
The canonical SMILES for ethane;7-propan-2-yl-1,2-benzothiazole is CC.CC(C)c1cccc2cnsc12.
What is the InChIKey of ethane;7-propan-2-yl-1,2-benzothiazole?
The InChIKey is IVCJXHDJKXFYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS.C2H6/c1-7(2)9-5-3-4-8-6-11-12-10(8)9;1-2/h3-7H,1-2H3;1-2H3.
What are the key properties of ethane;7-propan-2-yl-1,2-benzothiazole?
ethane;7-propan-2-yl-1,2-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;7-propan-2-yl-1,2-benzothiazole is sourced from PubChem (CID 171807326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).