N-phenyl-5-propan-2-yl-1,2-thiazole-3-carboxamide

C13H14N2OS — CID 145256421

IUPACN-phenyl-5-propan-2-yl-1,2-thiazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccccc2)ns1
InChIInChI=1S/C13H14N2OS/c1-9(2)12-8-11(15-17-12)13(16)14-10-6-4-3-5-7-10/h3-9H,1-2H3,(H,14,16)
InChIKeyVSIHMWMLTKHPFF-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.52
Rot. Bonds3

About N-phenyl-5-propan-2-yl-1,2-thiazole-3-carboxamide

N-phenyl-5-propan-2-yl-1,2-thiazole-3-carboxamide (PubChem CID 145256421) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is N-phenyl-5-propan-2-yl-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound NameN-phenyl-5-propan-2-yl-1,2-thiazole-3-carboxamide
PubChem CID145256421
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC NameN-phenyl-5-propan-2-yl-1,2-thiazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccccc2)ns1
InChIInChI=1S/C13H14N2OS/c1-9(2)12-8-11(15-17-12)13(16)14-10-6-4-3-5-7-10/h3-9H,1-2H3,(H,14,16)
InChIKeyVSIHMWMLTKHPFF-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

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-5-propan-2-yl-1,2-thiazole-3-carboxamide?
The IUPAC name of N-phenyl-5-propan-2-yl-1,2-thiazole-3-carboxamide (CID 145256421) is N-phenyl-5-propan-2-yl-1,2-thiazole-3-carboxamide.
What is the SMILES notation for N-phenyl-5-propan-2-yl-1,2-thiazole-3-carboxamide?
The canonical SMILES for N-phenyl-5-propan-2-yl-1,2-thiazole-3-carboxamide is CC(C)c1cc(C(=O)Nc2ccccc2)ns1.
What is the InChIKey of N-phenyl-5-propan-2-yl-1,2-thiazole-3-carboxamide?
The InChIKey is VSIHMWMLTKHPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-9(2)12-8-11(15-17-12)13(16)14-10-6-4-3-5-7-10/h3-9H,1-2H3,(H,14,16).
What are the key properties of N-phenyl-5-propan-2-yl-1,2-thiazole-3-carboxamide?
N-phenyl-5-propan-2-yl-1,2-thiazole-3-carboxamide 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-phenyl-5-propan-2-yl-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 145256421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).