3,5-dimethyl-2-methylidene-5,6-dihydro-1,3-benzothiazole

C10H13NS — CID 149175094

IUPAC3,5-dimethyl-2-methylidene-5,6-dihydro-1,3-benzothiazole
SMILESC=C1SC2=CCC(C)C=C2N1C
InChIInChI=1S/C10H13NS/c1-7-4-5-10-9(6-7)11(3)8(2)12-10/h5-7H,2,4H2,1,3H3
InChIKeyWZVCZZCVPHDACH-UHFFFAOYSA-N
MW179.29 g/mol
LogP2.94
Rot. Bonds

About 3,5-dimethyl-2-methylidene-5,6-dihydro-1,3-benzothiazole

3,5-dimethyl-2-methylidene-5,6-dihydro-1,3-benzothiazole (PubChem CID 149175094) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 3,5-dimethyl-2-methylidene-5,6-dihydro-1,3-benzothiazole.

Molecular Properties

Compound Name3,5-dimethyl-2-methylidene-5,6-dihydro-1,3-benzothiazole
PubChem CID149175094
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name3,5-dimethyl-2-methylidene-5,6-dihydro-1,3-benzothiazole
SMILESC=C1SC2=CCC(C)C=C2N1C
InChIInChI=1S/C10H13NS/c1-7-4-5-10-9(6-7)11(3)8(2)12-10/h5-7H,2,4H2,1,3H3
InChIKeyWZVCZZCVPHDACH-UHFFFAOYSA-N
XLogP2.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-methylidene-5,6-dihydro-1,3-benzothiazole?
The IUPAC name of 3,5-dimethyl-2-methylidene-5,6-dihydro-1,3-benzothiazole (CID 149175094) is 3,5-dimethyl-2-methylidene-5,6-dihydro-1,3-benzothiazole.
What is the SMILES notation for 3,5-dimethyl-2-methylidene-5,6-dihydro-1,3-benzothiazole?
The canonical SMILES for 3,5-dimethyl-2-methylidene-5,6-dihydro-1,3-benzothiazole is C=C1SC2=CCC(C)C=C2N1C.
What is the InChIKey of 3,5-dimethyl-2-methylidene-5,6-dihydro-1,3-benzothiazole?
The InChIKey is WZVCZZCVPHDACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c1-7-4-5-10-9(6-7)11(3)8(2)12-10/h5-7H,2,4H2,1,3H3.
What are the key properties of 3,5-dimethyl-2-methylidene-5,6-dihydro-1,3-benzothiazole?
3,5-dimethyl-2-methylidene-5,6-dihydro-1,3-benzothiazole has a molecular weight of 179.29 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-methylidene-5,6-dihydro-1,3-benzothiazole is sourced from PubChem (CID 149175094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).