2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-N-pentylacetamide

C16H21N3OS — CID 110329211

IUPAC2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)Cc1sc(-c2ccncc2)nc1C
InChIInChI=1S/C16H21N3OS/c1-3-4-5-8-18-15(20)11-14-12(2)19-16(21-14)13-6-9-17-10-7-13/h6-7,9-10H,3-5,8,11H2,1-2H3,(H,18,20)
InChIKeyWNFUOSZGHQZQLS-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.36
Rot. Bonds7

About 2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-N-pentylacetamide

2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-N-pentylacetamide (PubChem CID 110329211) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-N-pentylacetamide.

Molecular Properties

Compound Name2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-N-pentylacetamide
PubChem CID110329211
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)Cc1sc(-c2ccncc2)nc1C
InChIInChI=1S/C16H21N3OS/c1-3-4-5-8-18-15(20)11-14-12(2)19-16(21-14)13-6-9-17-10-7-13/h6-7,9-10H,3-5,8,11H2,1-2H3,(H,18,20)
InChIKeyWNFUOSZGHQZQLS-UHFFFAOYSA-N
XLogP3.36
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)acetamide
CID 110329182
N-butyl-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110328903
N-[(4-methoxyphenyl)methyl]-2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)acetamide
CID 110329175
N-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110395334
N-(2,5-dimethylphenyl)-2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)acetamide
CID 110329225
N,N-diethyl-2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)acetamide
CID 110329205
N-[4-(diethylamino)butyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39084315
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-pentylacetamide
CID 29435290
N-[3-(dimethylamino)propyl]-2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 110329641
N-hexyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 32646390
N-[3-(diethylamino)propyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39084301
ethyl 4-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)acetyl]piperazine-1-carboxylate
CID 110329199

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-N-pentylacetamide?
The IUPAC name of 2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-N-pentylacetamide (CID 110329211) is 2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-N-pentylacetamide.
What is the SMILES notation for 2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-N-pentylacetamide?
The canonical SMILES for 2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-N-pentylacetamide is CCCCCNC(=O)Cc1sc(-c2ccncc2)nc1C.
What is the InChIKey of 2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-N-pentylacetamide?
The InChIKey is WNFUOSZGHQZQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-3-4-5-8-18-15(20)11-14-12(2)19-16(21-14)13-6-9-17-10-7-13/h6-7,9-10H,3-5,8,11H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-N-pentylacetamide?
2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-N-pentylacetamide has a molecular weight of 303.43 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-N-pentylacetamide is sourced from PubChem (CID 110329211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).