N-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]-2-thiophen-2-ylacetamide

C17H17N3OS2 — CID 110395334

IUPACN-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESCc1nc(-c2ccncc2)sc1CCNC(=O)Cc1cccs1
InChIInChI=1S/C17H17N3OS2/c1-12-15(23-17(20-12)13-4-7-18-8-5-13)6-9-19-16(21)11-14-3-2-10-22-14/h2-5,7-8,10H,6,9,11H2,1H3,(H,19,21)
InChIKeyJXEHKWRFJSSWJU-UHFFFAOYSA-N
MW343.48 g/mol
LogP3.48
Rot. Bonds6

About N-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]-2-thiophen-2-ylacetamide

N-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 110395334) has the molecular formula C17H17N3OS2 and a molecular weight of 343.48 g/mol. Its IUPAC name is N-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]-2-thiophen-2-ylacetamide
PubChem CID110395334
Molecular FormulaC17H17N3OS2
Molecular Weight343.48 g/mol
Exact Mass343.08
IUPAC NameN-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESCc1nc(-c2ccncc2)sc1CCNC(=O)Cc1cccs1
InChIInChI=1S/C17H17N3OS2/c1-12-15(23-17(20-12)13-4-7-18-8-5-13)6-9-19-16(21)11-14-3-2-10-22-14/h2-5,7-8,10H,6,9,11H2,1H3,(H,19,21)
InChIKeyJXEHKWRFJSSWJU-UHFFFAOYSA-N
XLogP3.48
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 110395377
N-[2-(2-fluorophenyl)ethyl]-2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)acetamide
CID 110329182
N-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]pyridine-3-carboxamide
CID 110395353
2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-N-pentylacetamide
CID 110329211
2-(4-methoxyphenyl)-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]acetamide
CID 110395233
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]pyridine-4-carboxamide
CID 108542045
N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-thiophen-2-ylacetamide
CID 71795514
1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 71795363
N-[2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide
CID 110317283
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110646267
N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-2-thiophen-2-ylacetamide
CID 71789714

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]-2-thiophen-2-ylacetamide (CID 110395334) is N-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]-2-thiophen-2-ylacetamide is Cc1nc(-c2ccncc2)sc1CCNC(=O)Cc1cccs1.
What is the InChIKey of N-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is JXEHKWRFJSSWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS2/c1-12-15(23-17(20-12)13-4-7-18-8-5-13)6-9-19-16(21)11-14-3-2-10-22-14/h2-5,7-8,10H,6,9,11H2,1H3,(H,19,21).
What are the key properties of N-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]-2-thiophen-2-ylacetamide?
N-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 343.48 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 110395334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).