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

C13H14N2OS — CID 23548812

IUPACN-(4-propan-2-yl-1,3-thiazol-5-yl)benzamide
SMILESCC(C)c1ncsc1NC(=O)c1ccccc1
InChIInChI=1S/C13H14N2OS/c1-9(2)11-13(17-8-14-11)15-12(16)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,15,16)
InChIKeyOHDZFYGTJZDPPJ-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.52
Rot. Bonds3

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

N-(4-propan-2-yl-1,3-thiazol-5-yl)benzamide (PubChem CID 23548812) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is N-(4-propan-2-yl-1,3-thiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(4-propan-2-yl-1,3-thiazol-5-yl)benzamide
PubChem CID23548812
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC NameN-(4-propan-2-yl-1,3-thiazol-5-yl)benzamide
SMILESCC(C)c1ncsc1NC(=O)c1ccccc1
InChIInChI=1S/C13H14N2OS/c1-9(2)11-13(17-8-14-11)15-12(16)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,15,16)
InChIKeyOHDZFYGTJZDPPJ-UHFFFAOYSA-N
XLogP3.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-benzamido-1,3-thiazole-4-carboxylic acid
CID 69246207
ethyl 5-benzamido-1,3-thiazole-4-carboxylate
CID 102425607
N-(1,3-benzothiazol-4-yl)benzamide
CID 24975205
1-methylsulfonyl-N-(4-propan-2-yl-1,3-thiazol-5-yl)cyclopropane-1-carboxamide
CID 138017224
N-(5-propan-2-yl-2-pyridinyl)benzamide
CID 170385560
4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 13015604
N-[2,6-di(propan-2-yl)phenyl]benzamide
CID 709320
N-(2-propan-2-ylphenyl)benzamide
CID 723391
N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404990
2-benzamidothiophene-3-carboxylic acid
CID 16639461
N-[2,6-di(propan-2-yl)phenyl]benzamide;hydroiodide
CID 175991462
N-pyrimidin-2-ylbenzamide
CID 638481

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yl-1,3-thiazol-5-yl)benzamide?
The IUPAC name of N-(4-propan-2-yl-1,3-thiazol-5-yl)benzamide (CID 23548812) is N-(4-propan-2-yl-1,3-thiazol-5-yl)benzamide.
What is the SMILES notation for N-(4-propan-2-yl-1,3-thiazol-5-yl)benzamide?
The canonical SMILES for N-(4-propan-2-yl-1,3-thiazol-5-yl)benzamide is CC(C)c1ncsc1NC(=O)c1ccccc1.
What is the InChIKey of N-(4-propan-2-yl-1,3-thiazol-5-yl)benzamide?
The InChIKey is OHDZFYGTJZDPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-9(2)11-13(17-8-14-11)15-12(16)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,15,16).
What are the key properties of N-(4-propan-2-yl-1,3-thiazol-5-yl)benzamide?
N-(4-propan-2-yl-1,3-thiazol-5-yl)benzamide has a molecular weight of 246.34 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yl-1,3-thiazol-5-yl)benzamide is sourced from PubChem (CID 23548812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).