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

C13H16N2OS — CID 802139

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NC2=NCCS2)cc1
InChIInChI=1S/C13H16N2OS/c1-9(2)10-3-5-11(6-4-10)12(16)15-13-14-7-8-17-13/h3-6,9H,7-8H2,1-2H3,(H,14,15,16)
InChIKeyGRXDKWWLFPZLIZ-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.64
Rot. Bonds2

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

N-(4,5-dihydro-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide (PubChem CID 802139) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide
PubChem CID802139
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NC2=NCCS2)cc1
InChIInChI=1S/C13H16N2OS/c1-9(2)10-3-5-11(6-4-10)12(16)15-13-14-7-8-17-13/h3-6,9H,7-8H2,1-2H3,(H,14,15,16)
InChIKeyGRXDKWWLFPZLIZ-UHFFFAOYSA-N
XLogP2.64
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.64
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-propan-2-ylbenzamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide (CID 802139) is N-(4,5-dihydro-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)NC2=NCCS2)cc1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide?
The InChIKey is GRXDKWWLFPZLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-9(2)10-3-5-11(6-4-10)12(16)15-13-14-7-8-17-13/h3-6,9H,7-8H2,1-2H3,(H,14,15,16).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide has a molecular weight of 248.35 g/mol, XLogP of 2.64, 2 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-propan-2-ylbenzamide is sourced from PubChem (CID 802139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).