N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide

C18H16N2OS — CID 737888

IUPACN-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C18H16N2OS/c1-2-17(21)19-15-10-6-9-14(11-15)16-12-22-18(20-16)13-7-4-3-5-8-13/h3-12H,2H2,1H3,(H,19,21)
InChIKeyAREXEJCINWJIMP-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.83
Rot. Bonds4

About N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide

N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide (PubChem CID 737888) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
PubChem CID737888
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC NameN-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C18H16N2OS/c1-2-17(21)19-15-10-6-9-14(11-15)16-12-22-18(20-16)13-7-4-3-5-8-13/h3-12H,2H2,1H3,(H,19,21)
InChIKeyAREXEJCINWJIMP-UHFFFAOYSA-N
XLogP4.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Methyl-thiazol-4-yl)-phenylamine
CID 736535
N-(4-(2-Amino-1,3-thiazol-4-yl)phenyl)acetamide
CID 519881
3-[2-(4-Amino-phenyl)-thiazol-4-yl]-1H-quinolin-2-one
CID 10149743
3-[2-(Thiophen-3-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10286404
3-{2-[(Benzenesulfinyl)methyl]-1,3-thiazol-4-yl}-1,2-dihydroquinolin-2-one
CID 10309171
3,4-Dihydro-6-(2-methyl-4-thiazolyl)-2(1H)-quinolinone
CID 2801266
Acetamide, N-(4-(2-benzothiazolyl)phenyl)-
CID 233871
N-Phenyl-N'-(4-phenyl-2-thiazolyl)urea
CID 832542
2-(4-p-Tolyl-thiazol-2-yl)-acetamide
CID 1079159
2-Methyl-4-(4-aminophenyl)thiazole
CID 152684
4'-(6-Methyl-2-benzothiazolyl)acetanilide
CID 790687
N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]thiophene-2-carboxamide
CID 3574419

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide?
The IUPAC name of N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide (CID 737888) is N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide.
What is the SMILES notation for N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide?
The canonical SMILES for N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide is CCC(=O)Nc1cccc(-c2csc(-c3ccccc3)n2)c1.
What is the InChIKey of N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide?
The InChIKey is AREXEJCINWJIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c1-2-17(21)19-15-10-6-9-14(11-15)16-12-22-18(20-16)13-7-4-3-5-8-13/h3-12H,2H2,1H3,(H,19,21).
What are the key properties of N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide?
N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide has a molecular weight of 308.41 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 737888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).