2-methylidene-3-propan-2-yl-1,3-benzothiazole

C11H13NS — CID 90295857

IUPAC2-methylidene-3-propan-2-yl-1,3-benzothiazole
SMILESC=C1Sc2ccccc2N1C(C)C
InChIInChI=1S/C11H13NS/c1-8(2)12-9(3)13-11-7-5-4-6-10(11)12/h4-8H,3H2,1-2H3
InChIKeyYALCSSULIUKBCH-UHFFFAOYSA-N
MW191.30 g/mol
LogP3.48
Rot. Bonds1

About 2-methylidene-3-propan-2-yl-1,3-benzothiazole

2-methylidene-3-propan-2-yl-1,3-benzothiazole (PubChem CID 90295857) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is 2-methylidene-3-propan-2-yl-1,3-benzothiazole.

Molecular Properties

Compound Name2-methylidene-3-propan-2-yl-1,3-benzothiazole
PubChem CID90295857
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Name2-methylidene-3-propan-2-yl-1,3-benzothiazole
SMILESC=C1Sc2ccccc2N1C(C)C
InChIInChI=1S/C11H13NS/c1-8(2)12-9(3)13-11-7-5-4-6-10(11)12/h4-8H,3H2,1-2H3
InChIKeyYALCSSULIUKBCH-UHFFFAOYSA-N
XLogP3.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10-(3-methylbutan-2-yl)phenothiazine
CID 153119553
3-phenyl-2,4-di(propan-2-yl)furo[2,3-b][1,4]benzothiazine
CID 134402637
5,7-difluoro-2-methylidene-3-propan-2-yl-1,3-benzothiazole
CID 90295858
methanesulfonate;10-propan-2-ylphenothiazine-2-carbonitrile
CID 19822648
3-methyl-1-phenothiazin-10-ylbutan-2-one
CID 79395572
N-(1-phenothiazin-10-ylpropan-2-yl)methanimine oxide
CID 12715275
azane;10-(2-chloropropyl)phenothiazine
CID 70621156
1-phenothiazin-10-ylpropan-2-amine;hydroiodide
CID 173450767
2-ethenyl-3-[(Z)-3-methylbut-1-enyl]-1,4-benzodithiine
CID 143149796
1-phenothiazin-10-ylpropylphosphonic acid
CID 69302090
1-chloro-N-(2-chloroethyl)-N-methyl-1-phenothiazin-10-ylpropan-2-amine
CID 20980582
10-(2,3,3-trimethylbutyl)phenothiazine
CID 134538471

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3-propan-2-yl-1,3-benzothiazole?
The IUPAC name of 2-methylidene-3-propan-2-yl-1,3-benzothiazole (CID 90295857) is 2-methylidene-3-propan-2-yl-1,3-benzothiazole.
What is the SMILES notation for 2-methylidene-3-propan-2-yl-1,3-benzothiazole?
The canonical SMILES for 2-methylidene-3-propan-2-yl-1,3-benzothiazole is C=C1Sc2ccccc2N1C(C)C.
What is the InChIKey of 2-methylidene-3-propan-2-yl-1,3-benzothiazole?
The InChIKey is YALCSSULIUKBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS/c1-8(2)12-9(3)13-11-7-5-4-6-10(11)12/h4-8H,3H2,1-2H3.
What are the key properties of 2-methylidene-3-propan-2-yl-1,3-benzothiazole?
2-methylidene-3-propan-2-yl-1,3-benzothiazole has a molecular weight of 191.30 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3-propan-2-yl-1,3-benzothiazole is sourced from PubChem (CID 90295857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).