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

C16H21N3OS — CID 110649314

IUPACN-butyl-N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
SMILESCCCCN(C)C(=O)CCc1nc(-c2cccnc2)cs1
InChIInChI=1S/C16H21N3OS/c1-3-4-10-19(2)16(20)8-7-15-18-14(12-21-15)13-6-5-9-17-11-13/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3
InChIKeyGGWNZFKOLAKZSF-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.40
Rot. Bonds7

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

N-butyl-N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 110649314) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-butyl-N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-butyl-N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
PubChem CID110649314
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-butyl-N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
SMILESCCCCN(C)C(=O)CCc1nc(-c2cccnc2)cs1
InChIInChI=1S/C16H21N3OS/c1-3-4-10-19(2)16(20)8-7-15-18-14(12-21-15)13-6-5-9-17-11-13/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3
InChIKeyGGWNZFKOLAKZSF-UHFFFAOYSA-N
XLogP3.40
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanoic acid
CID 82116416
N-butan-2-yl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110406311
4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-ol
CID 116968662
ethyl 4-[3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanoyl]piperazine-1-carboxylate
CID 110648887
2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 24690096
N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-amine
CID 116965021
N-(2,6-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110649753
N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62544977
N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 62543899
N-(2-methoxyethyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110647547
N-(3,5-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110408417
N-butyl-N-methyl-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110342109

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-butyl-N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide (CID 110649314) is N-butyl-N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-butyl-N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-butyl-N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide is CCCCN(C)C(=O)CCc1nc(-c2cccnc2)cs1.
What is the InChIKey of N-butyl-N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is GGWNZFKOLAKZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-3-4-10-19(2)16(20)8-7-15-18-14(12-21-15)13-6-5-9-17-11-13/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3.
What are the key properties of N-butyl-N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
N-butyl-N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 303.43 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 110649314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).