N-[3-(diethylamino)propyl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetamide

C17H24N4OS — CID 39084376

IUPACN-[3-(diethylamino)propyl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetamide
SMILESCCN(CC)CCCNC(=O)Cc1csc(-c2ccncc2)n1
InChIInChI=1S/C17H24N4OS/c1-3-21(4-2)11-5-8-19-16(22)12-15-13-23-17(20-15)14-6-9-18-10-7-14/h6-7,9-10,13H,3-5,8,11-12H2,1-2H3,(H,19,22)
InChIKeyLPMZCMVHKRDJMQ-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.60
Rot. Bonds9

About N-[3-(diethylamino)propyl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetamide

N-[3-(diethylamino)propyl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 39084376) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetamide
PubChem CID39084376
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC NameN-[3-(diethylamino)propyl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetamide
SMILESCCN(CC)CCCNC(=O)Cc1csc(-c2ccncc2)n1
InChIInChI=1S/C17H24N4OS/c1-3-21(4-2)11-5-8-19-16(22)12-15-13-23-17(20-15)14-6-9-18-10-7-14/h6-7,9-10,13H,3-5,8,11-12H2,1-2H3,(H,19,22)
InChIKeyLPMZCMVHKRDJMQ-UHFFFAOYSA-N
XLogP2.60
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(diethylamino)ethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 86906795
N-[2-(dimethylamino)ethyl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetamide
CID 39084396
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 55956493
N-hexyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 32646390
N-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110329967
N-[3-(diethylamino)propyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39084301
N,N-diethyl-4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]butanamide
CID 60513365
2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-(3-hydroxypropyl)acetamide
CID 82547964
4-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 119170578
2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-propylacetamide
CID 82548086
N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 122144115
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55720543

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[3-(diethylamino)propyl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetamide (CID 39084376) is N-[3-(diethylamino)propyl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetamide is CCN(CC)CCCNC(=O)Cc1csc(-c2ccncc2)n1.
What is the InChIKey of N-[3-(diethylamino)propyl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is LPMZCMVHKRDJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-3-21(4-2)11-5-8-19-16(22)12-15-13-23-17(20-15)14-6-9-18-10-7-14/h6-7,9-10,13H,3-5,8,11-12H2,1-2H3,(H,19,22).
What are the key properties of N-[3-(diethylamino)propyl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetamide?
N-[3-(diethylamino)propyl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 332.47 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 39084376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).