3-(4-methyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide

C13H15N3OS — CID 110388436

IUPAC3-(4-methyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1csc(CCC(=O)NCc2ccccn2)n1
InChIInChI=1S/C13H15N3OS/c1-10-9-18-13(16-10)6-5-12(17)15-8-11-4-2-3-7-14-11/h2-4,7,9H,5-6,8H2,1H3,(H,15,17)
InChIKeyYEGOYIVMYBZQPL-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.10
Rot. Bonds5

About 3-(4-methyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide

3-(4-methyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 110388436) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 3-(4-methyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-methyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide
PubChem CID110388436
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name3-(4-methyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1csc(CCC(=O)NCc2ccccn2)n1
InChIInChI=1S/C13H15N3OS/c1-10-9-18-13(16-10)6-5-12(17)15-8-11-4-2-3-7-14-11/h2-4,7,9H,5-6,8H2,1H3,(H,15,17)
InChIKeyYEGOYIVMYBZQPL-UHFFFAOYSA-N
XLogP2.10
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 110388696
3-(4-methyl-1,3-thiazol-2-yl)-N-(3-phenylpropyl)propanamide
CID 110388471
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 110678823
3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 898315
3-iodo-N-(pyridin-2-ylmethyl)propanamide
CID 163408162
4-hydroxy-N-(pyridin-2-ylmethyl)pentanamide
CID 79016708
N-tert-butyl-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389545
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(4-propan-2-ylphenyl)propanamide
CID 47048123
N-[2-(2-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 110388443
N-(pyridin-2-ylmethyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 35511571
N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen
CID 143988612
3-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 29278184

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-(4-methyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide (CID 110388436) is 3-(4-methyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-methyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(4-methyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide is Cc1csc(CCC(=O)NCc2ccccn2)n1.
What is the InChIKey of 3-(4-methyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is YEGOYIVMYBZQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-10-9-18-13(16-10)6-5-12(17)15-8-11-4-2-3-7-14-11/h2-4,7,9H,5-6,8H2,1H3,(H,15,17).
What are the key properties of 3-(4-methyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide?
3-(4-methyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 261.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 110388436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).