N-(4,4-dimethyl-5-methylidene-1,3-thiazol-2-yl)benzamide

C13H14N2OS — CID 12623303

IUPACN-(4,4-dimethyl-5-methylidene-1,3-thiazol-2-yl)benzamide
SMILESC=C1SC(NC(=O)c2ccccc2)=NC1(C)C
InChIInChI=1S/C13H14N2OS/c1-9-13(2,3)15-12(17-9)14-11(16)10-7-5-4-6-8-10/h4-8H,1H2,2-3H3,(H,14,15,16)
InChIKeyGOJRNHMEZSHYIW-UHFFFAOYSA-N
MW246.33 g/mol
LogP2.81
Rot. Bonds1

About N-(4,4-dimethyl-5-methylidene-1,3-thiazol-2-yl)benzamide

N-(4,4-dimethyl-5-methylidene-1,3-thiazol-2-yl)benzamide (PubChem CID 12623303) has the molecular formula C13H14N2OS and a molecular weight of 246.33 g/mol. Its IUPAC name is N-(4,4-dimethyl-5-methylidene-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(4,4-dimethyl-5-methylidene-1,3-thiazol-2-yl)benzamide
PubChem CID12623303
Molecular FormulaC13H14N2OS
Molecular Weight246.33 g/mol
Exact Mass246.08
IUPAC NameN-(4,4-dimethyl-5-methylidene-1,3-thiazol-2-yl)benzamide
SMILESC=C1SC(NC(=O)c2ccccc2)=NC1(C)C
InChIInChI=1S/C13H14N2OS/c1-9-13(2,3)15-12(17-9)14-11(16)10-7-5-4-6-8-10/h4-8H,1H2,2-3H3,(H,14,15,16)
InChIKeyGOJRNHMEZSHYIW-UHFFFAOYSA-N
XLogP2.81
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethyl-5-methylidene-1,3-thiazol-2-yl)benzamide?
The IUPAC name of N-(4,4-dimethyl-5-methylidene-1,3-thiazol-2-yl)benzamide (CID 12623303) is N-(4,4-dimethyl-5-methylidene-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for N-(4,4-dimethyl-5-methylidene-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for N-(4,4-dimethyl-5-methylidene-1,3-thiazol-2-yl)benzamide is C=C1SC(NC(=O)c2ccccc2)=NC1(C)C.
What is the InChIKey of N-(4,4-dimethyl-5-methylidene-1,3-thiazol-2-yl)benzamide?
The InChIKey is GOJRNHMEZSHYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-9-13(2,3)15-12(17-9)14-11(16)10-7-5-4-6-8-10/h4-8H,1H2,2-3H3,(H,14,15,16).
What are the key properties of N-(4,4-dimethyl-5-methylidene-1,3-thiazol-2-yl)benzamide?
N-(4,4-dimethyl-5-methylidene-1,3-thiazol-2-yl)benzamide has a molecular weight of 246.33 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethyl-5-methylidene-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 12623303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).