3-(1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide

C12H14N2OS2 — CID 47080825

IUPAC3-(1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide
SMILESO=C(CCc1cscn1)NCCc1cccs1
InChIInChI=1S/C12H14N2OS2/c15-12(4-3-10-8-16-9-14-10)13-6-5-11-2-1-7-17-11/h1-2,7-9H,3-6H2,(H,13,15)
InChIKeyFFZOAGBHMIZMSR-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.50
Rot. Bonds6

About 3-(1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide

3-(1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide (PubChem CID 47080825) has the molecular formula C12H14N2OS2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-(1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-(1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide
PubChem CID47080825
Molecular FormulaC12H14N2OS2
Molecular Weight266.39 g/mol
Exact Mass266.05
IUPAC Name3-(1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide
SMILESO=C(CCc1cscn1)NCCc1cccs1
InChIInChI=1S/C12H14N2OS2/c15-12(4-3-10-8-16-9-14-10)13-6-5-11-2-1-7-17-11/h1-2,7-9H,3-6H2,(H,13,15)
InChIKeyFFZOAGBHMIZMSR-UHFFFAOYSA-N
XLogP2.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylamino)ethyl]-3-(1,3-thiazol-4-yl)propanamide
CID 119501389
N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 62044830
3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 110675529
3-bromo-N-(2-thiophen-2-ylethyl)propanamide
CID 82109303
4-hydroxy-N-(2-thiophen-2-ylethyl)butanamide
CID 13185709
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
2-(1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 63829370
1-(3-pyridin-2-ylpropanoylamino)-3-(2-thiophen-2-ylethyl)thiourea
CID 122132070
N-[2-[di(propan-2-yl)amino]ethyl]-3-thiophen-2-ylpropanamide
CID 78791751
3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 110624792
N-(1,3-thiazol-4-ylmethyl)-3-thiophen-2-ylpropan-1-amine
CID 115883663
2-[2-[3-(1,3-thiazol-4-yl)propanoylamino]ethylsulfanyl]acetic acid
CID 119241610

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide?
The IUPAC name of 3-(1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide (CID 47080825) is 3-(1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 3-(1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 3-(1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide is O=C(CCc1cscn1)NCCc1cccs1.
What is the InChIKey of 3-(1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide?
The InChIKey is FFZOAGBHMIZMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS2/c15-12(4-3-10-8-16-9-14-10)13-6-5-11-2-1-7-17-11/h1-2,7-9H,3-6H2,(H,13,15).
What are the key properties of 3-(1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide?
3-(1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide has a molecular weight of 266.39 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 47080825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).