N-ethyl-3-(4-methyl-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)propanamide

C15H19N3OS — CID 70725804

IUPACN-ethyl-3-(4-methyl-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)propanamide
SMILESCCN(Cc1ccncc1)C(=O)CCc1scnc1C
InChIInChI=1S/C15H19N3OS/c1-3-18(10-13-6-8-16-9-7-13)15(19)5-4-14-12(2)17-11-20-14/h6-9,11H,3-5,10H2,1-2H3
InChIKeyVOAWIPKLGKTBMW-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.83
Rot. Bonds6

About N-ethyl-3-(4-methyl-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)propanamide

N-ethyl-3-(4-methyl-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 70725804) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-ethyl-3-(4-methyl-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-(4-methyl-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)propanamide
PubChem CID70725804
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-ethyl-3-(4-methyl-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)propanamide
SMILESCCN(Cc1ccncc1)C(=O)CCc1scnc1C
InChIInChI=1S/C15H19N3OS/c1-3-18(10-13-6-8-16-9-7-13)15(19)5-4-14-12(2)17-11-20-14/h6-9,11H,3-5,10H2,1-2H3
InChIKeyVOAWIPKLGKTBMW-UHFFFAOYSA-N
XLogP2.83
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-pyridin-4-ylpropanamide
CID 74235505
N-ethyl-2-(4-methyl-1,3-thiazol-5-yl)-N-(2-pyridin-4-ylethyl)acetamide
CID 110679621
N,N-diethyl-3-pyridin-4-ylpropanamide
CID 78878654
6-[ethyl(pyridin-4-ylmethyl)amino]-6-oxohexanoic acid
CID 54876323
6-amino-N-ethyl-4,4-dimethyl-N-(pyridin-4-ylmethyl)hexanamide
CID 65292091
N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 564270
2-anilino-N-ethyl-N-(pyridin-4-ylmethyl)acetamide
CID 60962477
3-(4-methyl-1,3-thiazol-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propanamide
CID 96577763
2,2-dimethyl-6-(4-methyl-1,3-thiazol-5-yl)hexan-3-one
CID 79428990
N-ethyl-N-(2-pyridin-4-ylethyl)pentanamide
CID 110755648
3-amino-N-ethyl-N-(2-pyridin-4-ylethyl)propanamide
CID 22692037
N-ethyl-3-(4-methylphenyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 46995859

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-methyl-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of N-ethyl-3-(4-methyl-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)propanamide (CID 70725804) is N-ethyl-3-(4-methyl-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for N-ethyl-3-(4-methyl-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for N-ethyl-3-(4-methyl-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)propanamide is CCN(Cc1ccncc1)C(=O)CCc1scnc1C.
What is the InChIKey of N-ethyl-3-(4-methyl-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is VOAWIPKLGKTBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-18(10-13-6-8-16-9-7-13)15(19)5-4-14-12(2)17-11-20-14/h6-9,11H,3-5,10H2,1-2H3.
What are the key properties of N-ethyl-3-(4-methyl-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)propanamide?
N-ethyl-3-(4-methyl-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 289.40 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-methyl-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 70725804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).