2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide

C20H22N4OS2 — CID 51265432

IUPAC2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
SMILESO=C(Cc1csc(-c2ccccn2)n1)NCC(c1cccs1)N1CCCC1
InChIInChI=1S/C20H22N4OS2/c25-19(12-15-14-27-20(23-15)16-6-1-2-8-21-16)22-13-17(18-7-5-11-26-18)24-9-3-4-10-24/h1-2,5-8,11,14,17H,3-4,9-10,12-13H2,(H,22,25)
InChIKeyGUGXLYSQOPLFFK-UHFFFAOYSA-N
MW398.56 g/mol
LogP3.76
Rot. Bonds7

About 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide

2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide (PubChem CID 51265432) has the molecular formula C20H22N4OS2 and a molecular weight of 398.56 g/mol. Its IUPAC name is 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
PubChem CID51265432
Molecular FormulaC20H22N4OS2
Molecular Weight398.56 g/mol
Exact Mass398.12
IUPAC Name2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
SMILESO=C(Cc1csc(-c2ccccn2)n1)NCC(c1cccs1)N1CCCC1
InChIInChI=1S/C20H22N4OS2/c25-19(12-15-14-27-20(23-15)16-6-1-2-8-21-16)22-13-17(18-7-5-11-26-18)24-9-3-4-10-24/h1-2,5-8,11,14,17H,3-4,9-10,12-13H2,(H,22,25)
InChIKeyGUGXLYSQOPLFFK-UHFFFAOYSA-N
XLogP3.76
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.56
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 15145540
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 17496137
N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27648148
2-naphthalen-2-yl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 17412718
2-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 78822033
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 46514403
N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950040
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35042267
2-phenoxy-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]acetamide
CID 34949998
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 112809788
N-[(1-hydroxycyclohexyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 111445951
N-cyclooctyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17449429

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide (CID 51265432) is 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide is O=C(Cc1csc(-c2ccccn2)n1)NCC(c1cccs1)N1CCCC1.
What is the InChIKey of 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide?
The InChIKey is GUGXLYSQOPLFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS2/c25-19(12-15-14-27-20(23-15)16-6-1-2-8-21-16)22-13-17(18-7-5-11-26-18)24-9-3-4-10-24/h1-2,5-8,11,14,17H,3-4,9-10,12-13H2,(H,22,25).
What are the key properties of 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide?
2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide has a molecular weight of 398.56 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 51265432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).