N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide

C17H16N2OS2 — CID 39189565

IUPACN-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide
SMILESCc1nc(NC(=O)CCc2ccsc2)sc1-c1ccccc1
InChIInChI=1S/C17H16N2OS2/c1-12-16(14-5-3-2-4-6-14)22-17(18-12)19-15(20)8-7-13-9-10-21-11-13/h2-6,9-11H,7-8H2,1H3,(H,18,19,20)
InChIKeyFMYMGQBFBIMFGE-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.75
Rot. Bonds5

About N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide

N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide (PubChem CID 39189565) has the molecular formula C17H16N2OS2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide
PubChem CID39189565
Molecular FormulaC17H16N2OS2
Molecular Weight328.46 g/mol
Exact Mass328.07
IUPAC NameN-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide
SMILESCc1nc(NC(=O)CCc2ccsc2)sc1-c1ccccc1
InChIInChI=1S/C17H16N2OS2/c1-12-16(14-5-3-2-4-6-14)22-17(18-12)19-15(20)8-7-13-9-10-21-11-13/h2-6,9-11H,7-8H2,1H3,(H,18,19,20)
InChIKeyFMYMGQBFBIMFGE-UHFFFAOYSA-N
XLogP4.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 57415009
N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 28901044
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 733834
N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 55610699
N-(6-methyl-2-pyridinyl)-3-thiophen-3-ylpropanamide
CID 18107239
N-(4-acetyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide
CID 17444833
2-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)butanamide
CID 42957088
N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-ylpropanamide
CID 78801819
4-(methoxymethyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide
CID 37201205
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide
CID 17404495
N-(4,5-diphenyl-1,3-thiazol-2-yl)butanamide
CID 4099246
2-(1-adamantyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)acetamide
CID 4921109

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide?
The IUPAC name of N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide (CID 39189565) is N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide is Cc1nc(NC(=O)CCc2ccsc2)sc1-c1ccccc1.
What is the InChIKey of N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide?
The InChIKey is FMYMGQBFBIMFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS2/c1-12-16(14-5-3-2-4-6-14)22-17(18-12)19-15(20)8-7-13-9-10-21-11-13/h2-6,9-11H,7-8H2,1H3,(H,18,19,20).
What are the key properties of N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide?
N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide has a molecular weight of 328.46 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 39189565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).