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

C15H20N4OS — CID 91833614

IUPAC3-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-N-pyridin-3-ylpropanamide
SMILESCc1ncsc1CCN(C)CCC(=O)Nc1cccnc1
InChIInChI=1S/C15H20N4OS/c1-12-14(21-11-17-12)5-8-19(2)9-6-15(20)18-13-4-3-7-16-10-13/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,18,20)
InChIKeyVVJXAJWFZWEZNG-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.35
Rot. Bonds7

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

3-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-N-pyridin-3-ylpropanamide (PubChem CID 91833614) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name3-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-N-pyridin-3-ylpropanamide
PubChem CID91833614
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name3-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-N-pyridin-3-ylpropanamide
SMILESCc1ncsc1CCN(C)CCC(=O)Nc1cccnc1
InChIInChI=1S/C15H20N4OS/c1-12-14(21-11-17-12)5-8-19(2)9-6-15(20)18-13-4-3-7-16-10-13/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,18,20)
InChIKeyVVJXAJWFZWEZNG-UHFFFAOYSA-N
XLogP2.35
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-3-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]propanamide
CID 91830831
3-[methyl(thian-4-yl)amino]-N-pyridin-3-ylpropanamide
CID 91840850
N-(2-aminophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propanamide
CID 63842600
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
(3S)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 129400802
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 50975442
N-(4-fluoro-2-methylphenyl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetamide
CID 134710256
3-pyridin-2-yl-N-pyridin-3-ylpropanamide
CID 47468155
3-acetamido-N-pyridin-3-ylpropanamide
CID 91801519
4-[2-oxo-2-(pyridin-3-ylamino)ethyl]-1,3-thiazole-5-carboxylic acid
CID 70919678
2-(4-methylphenyl)-N-pyridin-3-ylacetamide
CID 890802
3-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid
CID 60987692

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-N-pyridin-3-ylpropanamide?
The IUPAC name of 3-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-N-pyridin-3-ylpropanamide (CID 91833614) is 3-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-N-pyridin-3-ylpropanamide.
What is the SMILES notation for 3-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-N-pyridin-3-ylpropanamide?
The canonical SMILES for 3-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-N-pyridin-3-ylpropanamide is Cc1ncsc1CCN(C)CCC(=O)Nc1cccnc1.
What is the InChIKey of 3-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-N-pyridin-3-ylpropanamide?
The InChIKey is VVJXAJWFZWEZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-12-14(21-11-17-12)5-8-19(2)9-6-15(20)18-13-4-3-7-16-10-13/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,18,20).
What are the key properties of 3-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-N-pyridin-3-ylpropanamide?
3-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-N-pyridin-3-ylpropanamide has a molecular weight of 304.42 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 91833614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).