4-ethyl-7-propan-2-yl-1,3-benzothiazole

C12H15NS — CID 130378060

IUPAC4-ethyl-7-propan-2-yl-1,3-benzothiazole
SMILESCCc1ccc(C(C)C)c2scnc12
InChIInChI=1S/C12H15NS/c1-4-9-5-6-10(8(2)3)12-11(9)13-7-14-12/h5-8H,4H2,1-3H3
InChIKeyDYHIQYJEMYOKDS-UHFFFAOYSA-N
MW205.33 g/mol
LogP3.98
Rot. Bonds2

About 4-ethyl-7-propan-2-yl-1,3-benzothiazole

4-ethyl-7-propan-2-yl-1,3-benzothiazole (PubChem CID 130378060) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is 4-ethyl-7-propan-2-yl-1,3-benzothiazole.

Molecular Properties

Compound Name4-ethyl-7-propan-2-yl-1,3-benzothiazole
PubChem CID130378060
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Name4-ethyl-7-propan-2-yl-1,3-benzothiazole
SMILESCCc1ccc(C(C)C)c2scnc12
InChIInChI=1S/C12H15NS/c1-4-9-5-6-10(8(2)3)12-11(9)13-7-14-12/h5-8H,4H2,1-3H3
InChIKeyDYHIQYJEMYOKDS-UHFFFAOYSA-N
XLogP3.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-ethyl-4-propan-2-yl-2,1,3-benzothiadiazole;propane
CID 145347002
7-ethyl-4-methyl-[1,3]thiazolo[5,4-c]pyridine
CID 91016106
ethane;7-fluoro-4-propan-2-yl-1,3-benzothiazole
CID 163391719
4-(2,2-dimethylpropyl)-7-methyl-1,3-benzothiazole
CID 91353241
1-ethyl-2,3-dimethyl-4-propan-2-ylbenzene
CID 145053588
2-(2-amino-2-methylpropyl)-6-ethyl-3-propan-2-ylphenol
CID 117343674
2-chloro-8-ethyl-3-propan-2-ylquinoline
CID 63531228
4,6,7-trimethyl-[1,3]thiazolo[4,5-c]pyridine
CID 166990343
7-(2-hydroxyethyl)-1,3-benzothiazol-4-ol
CID 126501615
2-(4,7-dimethyl-1,3-benzothiazol-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone
CID 58145593
2-ethyl-4-isocyano-1-propan-2-ylbenzene
CID 58826858
7-tert-butyl-4-ethyl-[1,3]thiazolo[5,4-c]pyridine
CID 91236238

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-propan-2-yl-1,3-benzothiazole?
The IUPAC name of 4-ethyl-7-propan-2-yl-1,3-benzothiazole (CID 130378060) is 4-ethyl-7-propan-2-yl-1,3-benzothiazole.
What is the SMILES notation for 4-ethyl-7-propan-2-yl-1,3-benzothiazole?
The canonical SMILES for 4-ethyl-7-propan-2-yl-1,3-benzothiazole is CCc1ccc(C(C)C)c2scnc12.
What is the InChIKey of 4-ethyl-7-propan-2-yl-1,3-benzothiazole?
The InChIKey is DYHIQYJEMYOKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-4-9-5-6-10(8(2)3)12-11(9)13-7-14-12/h5-8H,4H2,1-3H3.
What are the key properties of 4-ethyl-7-propan-2-yl-1,3-benzothiazole?
4-ethyl-7-propan-2-yl-1,3-benzothiazole has a molecular weight of 205.33 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-propan-2-yl-1,3-benzothiazole is sourced from PubChem (CID 130378060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).