N-[3-methyl-4-(1,3-thiazol-5-yl)phenyl]acetamide;triphenylphosphane

C30H27N2OPS — CID 91086149

IUPACN-[3-methyl-4-(1,3-thiazol-5-yl)phenyl]acetamide;triphenylphosphane
SMILESCC(=O)Nc1ccc(-c2cncs2)c(C)c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C12H12N2OS/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8-5-10(14-9(2)15)3-4-11(8)12-6-13-7-16-12/h1-15H;3-7H,1-2H3,(H,14,15)
InChIKeyLVCKXOSEKJPHBC-UHFFFAOYSA-N
MW494.60 g/mol
LogP6.52
Rot. Bonds5

About N-[3-methyl-4-(1,3-thiazol-5-yl)phenyl]acetamide;triphenylphosphane

N-[3-methyl-4-(1,3-thiazol-5-yl)phenyl]acetamide;triphenylphosphane (PubChem CID 91086149) has the molecular formula C30H27N2OPS and a molecular weight of 494.60 g/mol. Its IUPAC name is N-[3-methyl-4-(1,3-thiazol-5-yl)phenyl]acetamide;triphenylphosphane.

Molecular Properties

Compound NameN-[3-methyl-4-(1,3-thiazol-5-yl)phenyl]acetamide;triphenylphosphane
PubChem CID91086149
Molecular FormulaC30H27N2OPS
Molecular Weight494.60 g/mol
Exact Mass494.16
IUPAC NameN-[3-methyl-4-(1,3-thiazol-5-yl)phenyl]acetamide;triphenylphosphane
SMILESCC(=O)Nc1ccc(-c2cncs2)c(C)c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C12H12N2OS/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8-5-10(14-9(2)15)3-4-11(8)12-6-13-7-16-12/h1-15H;3-7H,1-2H3,(H,14,15)
InChIKeyLVCKXOSEKJPHBC-UHFFFAOYSA-N
XLogP6.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.60
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1,3-thiazol-5-yl)thiophen-2-yl]acetamide
CID 18667979
acetic acid;chlororuthenium;tris(triphenylphosphane)
CID 172641403
4-methyl-N-phenyl-2-(1,3-thiazol-5-yl)-1,3-thiazole-5-carboxamide
CID 166359838
propan-2-one;triphenylphosphane;hydrate
CID 118484852
N-[4-(2-chloropyrimidin-4-yl)-3-methylphenyl]acetamide;ethane
CID 145490179
N-(7-acetamidothianthren-2-yl)acetamide
CID 13215772
CID 174682832
CID 174682832
N-(4-phenylphenyl)acetamide
CID 19998
N-phenylacetamide;toluene
CID 175205531
2-methyl-N-[3-methyl-4-[2-methyl-4-[(2-methylbenzoyl)amino]phenyl]phenyl]benzamide
CID 23908248
3-(3-acetamidophenyl)pyridine-4-carboxylic acid
CID 53223642
N-[3-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-oxo-2-phenylacetamide
CID 21361002

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(1,3-thiazol-5-yl)phenyl]acetamide;triphenylphosphane?
The IUPAC name of N-[3-methyl-4-(1,3-thiazol-5-yl)phenyl]acetamide;triphenylphosphane (CID 91086149) is N-[3-methyl-4-(1,3-thiazol-5-yl)phenyl]acetamide;triphenylphosphane.
What is the SMILES notation for N-[3-methyl-4-(1,3-thiazol-5-yl)phenyl]acetamide;triphenylphosphane?
The canonical SMILES for N-[3-methyl-4-(1,3-thiazol-5-yl)phenyl]acetamide;triphenylphosphane is CC(=O)Nc1ccc(-c2cncs2)c(C)c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[3-methyl-4-(1,3-thiazol-5-yl)phenyl]acetamide;triphenylphosphane?
The InChIKey is LVCKXOSEKJPHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C12H12N2OS/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8-5-10(14-9(2)15)3-4-11(8)12-6-13-7-16-12/h1-15H;3-7H,1-2H3,(H,14,15).
What are the key properties of N-[3-methyl-4-(1,3-thiazol-5-yl)phenyl]acetamide;triphenylphosphane?
N-[3-methyl-4-(1,3-thiazol-5-yl)phenyl]acetamide;triphenylphosphane has a molecular weight of 494.60 g/mol, XLogP of 6.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(1,3-thiazol-5-yl)phenyl]acetamide;triphenylphosphane is sourced from PubChem (CID 91086149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).