N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-2-thiophen-2-ylacetamide

C17H16N2OS2 — CID 110440328

IUPACN-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H16N2OS2/c20-16(11-14-7-4-10-21-14)18-9-8-17-19-15(12-22-17)13-5-2-1-3-6-13/h1-7,10,12H,8-9,11H2,(H,18,20)
InChIKeyBYFJIFMZEBARTQ-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.77
Rot. Bonds6

About N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-2-thiophen-2-ylacetamide

N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 110440328) has the molecular formula C17H16N2OS2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-2-thiophen-2-ylacetamide
PubChem CID110440328
Molecular FormulaC17H16N2OS2
Molecular Weight328.46 g/mol
Exact Mass328.07
IUPAC NameN-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H16N2OS2/c20-16(11-14-7-4-10-21-14)18-9-8-17-19-15(12-22-17)13-5-2-1-3-6-13/h1-7,10,12H,8-9,11H2,(H,18,20)
InChIKeyBYFJIFMZEBARTQ-UHFFFAOYSA-N
XLogP3.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 1497759
N-[4-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55843339
2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide
CID 8955996
3-(dimethylamino)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110442461
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 25386042
1-benzyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
CID 127048003
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyrrole-1-carboxamide
CID 127045820
1-phenyl-3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110317790
N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-2-thiophen-2-ylacetamide
CID 110293651
2-(5-aminotetrazol-1-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 131902251
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 77079887

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-2-thiophen-2-ylacetamide (CID 110440328) is N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCCc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is BYFJIFMZEBARTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS2/c20-16(11-14-7-4-10-21-14)18-9-8-17-19-15(12-22-17)13-5-2-1-3-6-13/h1-7,10,12H,8-9,11H2,(H,18,20).
What are the key properties of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-2-thiophen-2-ylacetamide?
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 328.46 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 110440328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).