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

C16H21N3OS — CID 110329792

IUPACN-butyl-N-methyl-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
SMILESCCCCN(C)C(=O)CCc1csc(-c2ccccn2)n1
InChIInChI=1S/C16H21N3OS/c1-3-4-11-19(2)15(20)9-8-13-12-21-16(18-13)14-7-5-6-10-17-14/h5-7,10,12H,3-4,8-9,11H2,1-2H3
InChIKeyQDXVFAXRFGVOSJ-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.40
Rot. Bonds7

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

N-butyl-N-methyl-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide (PubChem CID 110329792) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-butyl-N-methyl-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-butyl-N-methyl-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
PubChem CID110329792
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-butyl-N-methyl-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
SMILESCCCCN(C)C(=O)CCc1csc(-c2ccccn2)n1
InChIInChI=1S/C16H21N3OS/c1-3-4-11-19(2)15(20)9-8-13-12-21-16(18-13)14-7-5-6-10-17-14/h5-7,10,12H,3-4,8-9,11H2,1-2H3
InChIKeyQDXVFAXRFGVOSJ-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

N-methyl-N-(2-pyridin-4-ylethyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110329767
N-methyl-N-[2-(oxan-2-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110614300
N-methyl-N-(2-pyridin-2-ylethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 134017603
N-[2-(dimethylamino)ethyl]-N-methyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 46981951
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110629694
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pentanamide
CID 108748809
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octadecanamide
CID 108748833
N-benzyl-N-propyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 134059896
N-(2,6-dimethylphenyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110418418
N-butyl-N-methyl-3-(1,3-thiazol-4-yl)propanamide
CID 110679458
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110406547
N-methyl-N-[(4-phenylphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 134054093

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-butyl-N-methyl-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide (CID 110329792) is N-butyl-N-methyl-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-butyl-N-methyl-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-butyl-N-methyl-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide is CCCCN(C)C(=O)CCc1csc(-c2ccccn2)n1.
What is the InChIKey of N-butyl-N-methyl-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide?
The InChIKey is QDXVFAXRFGVOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-3-4-11-19(2)15(20)9-8-13-12-21-16(18-13)14-7-5-6-10-17-14/h5-7,10,12H,3-4,8-9,11H2,1-2H3.
What are the key properties of N-butyl-N-methyl-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide?
N-butyl-N-methyl-3-(2-pyridin-2-yl-1,3-thiazol-4-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-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 110329792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).