N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzamide

C11H12N2OS — CID 776902

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2=NCCS2)cc1
InChIInChI=1S/C11H12N2OS/c1-8-2-4-9(5-3-8)10(14)13-11-12-6-7-15-11/h2-5H,6-7H2,1H3,(H,12,13,14)
InChIKeyKRNFLODRNBSJFX-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.83
Rot. Bonds1

About N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzamide (PubChem CID 776902) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzamide
PubChem CID776902
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2=NCCS2)cc1
InChIInChI=1S/C11H12N2OS/c1-8-2-4-9(5-3-8)10(14)13-11-12-6-7-15-11/h2-5H,6-7H2,1H3,(H,12,13,14)
InChIKeyKRNFLODRNBSJFX-UHFFFAOYSA-N
XLogP1.83
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzamide (CID 776902) is N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzamide is Cc1ccc(C(=O)NC2=NCCS2)cc1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzamide?
The InChIKey is KRNFLODRNBSJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-8-2-4-9(5-3-8)10(14)13-11-12-6-7-15-11/h2-5H,6-7H2,1H3,(H,12,13,14).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzamide has a molecular weight of 220.30 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzamide is sourced from PubChem (CID 776902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).