6-[(Z)-3-methylpent-2-en-2-yl]-1,3-benzothiazole

C13H15NS — CID 143099494

IUPAC6-[(Z)-3-methylpent-2-en-2-yl]-1,3-benzothiazole
SMILESCC/C(C)=C(/C)c1ccc2ncsc2c1
InChIInChI=1S/C13H15NS/c1-4-9(2)10(3)11-5-6-12-13(7-11)15-8-14-12/h5-8H,4H2,1-3H3/b10-9-
InChIKeySTNOIIAJOFERML-KTKRTIGZSA-N
MW217.34 g/mol
LogP4.50
Rot. Bonds2

About 6-[(Z)-3-methylpent-2-en-2-yl]-1,3-benzothiazole

6-[(Z)-3-methylpent-2-en-2-yl]-1,3-benzothiazole (PubChem CID 143099494) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is 6-[(Z)-3-methylpent-2-en-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-[(Z)-3-methylpent-2-en-2-yl]-1,3-benzothiazole
PubChem CID143099494
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC Name6-[(Z)-3-methylpent-2-en-2-yl]-1,3-benzothiazole
SMILESCC/C(C)=C(/C)c1ccc2ncsc2c1
InChIInChI=1S/C13H15NS/c1-4-9(2)10(3)11-5-6-12-13(7-11)15-8-14-12/h5-8H,4H2,1-3H3/b10-9-
InChIKeySTNOIIAJOFERML-KTKRTIGZSA-N
XLogP4.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-1,3-benzothiazole-6-carboxamide
CID 60635901
(2-acetamido-2-oxoethyl) 1,3-benzothiazole-6-carboxylate
CID 2561880
N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide
CID 114618628
N-ethyl-N-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxamide
CID 60653832
N-(2-ethyl-2-hydroxybutyl)-1,3-benzothiazole-6-carboxamide
CID 65112231
N-(2-amino-2-methylpropyl)-1,3-benzothiazole-6-carboxamide
CID 23111144
2-[1,3-benzothiazole-6-carbonyl(propyl)amino]acetic acid
CID 61013428
2-[1,3-benzothiazole-6-carbonyl(carboxymethyl)amino]acetic acid
CID 63651903
N,N-diethyl-1,3-benzothiazol-6-amine
CID 12675901
N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-benzothiazole-6-carboxamide
CID 103843357
3-(1,3-benzothiazole-6-carbonylamino)butanoic acid
CID 43360749
N-but-2-ynyl-1,3-benzothiazole-6-carboxamide;ethane
CID 143657790

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-3-methylpent-2-en-2-yl]-1,3-benzothiazole?
The IUPAC name of 6-[(Z)-3-methylpent-2-en-2-yl]-1,3-benzothiazole (CID 143099494) is 6-[(Z)-3-methylpent-2-en-2-yl]-1,3-benzothiazole.
What is the SMILES notation for 6-[(Z)-3-methylpent-2-en-2-yl]-1,3-benzothiazole?
The canonical SMILES for 6-[(Z)-3-methylpent-2-en-2-yl]-1,3-benzothiazole is CC/C(C)=C(/C)c1ccc2ncsc2c1.
What is the InChIKey of 6-[(Z)-3-methylpent-2-en-2-yl]-1,3-benzothiazole?
The InChIKey is STNOIIAJOFERML-KTKRTIGZSA-N. The full InChI is InChI=1S/C13H15NS/c1-4-9(2)10(3)11-5-6-12-13(7-11)15-8-14-12/h5-8H,4H2,1-3H3/b10-9-.
What are the key properties of 6-[(Z)-3-methylpent-2-en-2-yl]-1,3-benzothiazole?
6-[(Z)-3-methylpent-2-en-2-yl]-1,3-benzothiazole has a molecular weight of 217.34 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-3-methylpent-2-en-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 143099494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).