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

C20H21N3OS — CID 74235505

IUPACN-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-pyridin-4-ylpropanamide
SMILESCc1ncsc1CN(Cc1ccccc1)C(=O)CCc1ccncc1
InChIInChI=1S/C20H21N3OS/c1-16-19(25-15-22-16)14-23(13-18-5-3-2-4-6-18)20(24)8-7-17-9-11-21-12-10-17/h2-6,9-12,15H,7-8,13-14H2,1H3
InChIKeyYOSCHVREIKDZRN-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.01
Rot. Bonds7

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

N-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-pyridin-4-ylpropanamide (PubChem CID 74235505) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is N-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-pyridin-4-ylpropanamide
PubChem CID74235505
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC NameN-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-pyridin-4-ylpropanamide
SMILESCc1ncsc1CN(Cc1ccccc1)C(=O)CCc1ccncc1
InChIInChI=1S/C20H21N3OS/c1-16-19(25-15-22-16)14-23(13-18-5-3-2-4-6-18)20(24)8-7-17-9-11-21-12-10-17/h2-6,9-12,15H,7-8,13-14H2,1H3
InChIKeyYOSCHVREIKDZRN-UHFFFAOYSA-N
XLogP4.01
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-(4-methyl-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)propanamide
CID 70725804
N-benzyl-3-(2-methyl-6-oxo-1-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 131945511
N-benzyl-2-(2-methylphenoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 131929748
N-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide
CID 74241327
N-ethyl-2-(4-methyl-1,3-thiazol-5-yl)-N-(2-pyridin-4-ylethyl)acetamide
CID 110679621
1-benzyl-3-[(2S)-1-(dimethylamino)propan-2-yl]-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 126441669
N-benzyl-2-(4-methyl-1,4-diazepan-1-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide;formic acid
CID 154915759
N-benzyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 42775856
N,N-diethyl-3-pyridin-4-ylpropanamide
CID 78878654
N-(3-amino-3-oxopropyl)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide
CID 56816608
N-benzyl-N-(2-chloroethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 63390843
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)propanamide
CID 78811639

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-pyridin-4-ylpropanamide?
The IUPAC name of N-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-pyridin-4-ylpropanamide (CID 74235505) is N-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-pyridin-4-ylpropanamide is Cc1ncsc1CN(Cc1ccccc1)C(=O)CCc1ccncc1.
What is the InChIKey of N-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-pyridin-4-ylpropanamide?
The InChIKey is YOSCHVREIKDZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-16-19(25-15-22-16)14-23(13-18-5-3-2-4-6-18)20(24)8-7-17-9-11-21-12-10-17/h2-6,9-12,15H,7-8,13-14H2,1H3.
What are the key properties of N-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-pyridin-4-ylpropanamide?
N-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-pyridin-4-ylpropanamide has a molecular weight of 351.48 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 74235505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).