N,N-diethyl-4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]butanamide

C18H24N4O2S — CID 60513365

IUPACN,N-diethyl-4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]butanamide
SMILESCCN(CC)C(=O)CCCNC(=O)Cc1csc(-c2cccnc2)n1
InChIInChI=1S/C18H24N4O2S/c1-3-22(4-2)17(24)8-6-10-20-16(23)11-15-13-25-18(21-15)14-7-5-9-19-12-14/h5,7,9,12-13H,3-4,6,8,10-11H2,1-2H3,(H,20,23)
InChIKeyASMCYNFHUDKWQV-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.51
Rot. Bonds9

About N,N-diethyl-4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]butanamide

N,N-diethyl-4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]butanamide (PubChem CID 60513365) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N,N-diethyl-4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]butanamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]butanamide
PubChem CID60513365
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN,N-diethyl-4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]butanamide
SMILESCCN(CC)C(=O)CCCNC(=O)Cc1csc(-c2cccnc2)n1
InChIInChI=1S/C18H24N4O2S/c1-3-22(4-2)17(24)8-6-10-20-16(23)11-15-13-25-18(21-15)14-7-5-9-19-12-14/h5,7,9,12-13H,3-4,6,8,10-11H2,1-2H3,(H,20,23)
InChIKeyASMCYNFHUDKWQV-UHFFFAOYSA-N
XLogP2.51
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.51
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-(3-butoxypropyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 134015193
N-(2-acetamidoethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39084427
N-[2-(methylamino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 119502386
N-[2-oxo-2-(propylamino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 86911127
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55720543
2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-(4-pyrrolidin-1-ylbutyl)acetamide
CID 39084461
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55451565
N-(pyridin-3-ylmethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39084438
2-[2-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]ethylsulfanyl]acetic acid
CID 119242469
N-[3-(diethylamino)propyl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetamide
CID 39084376
N-(4-butylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 78811718
N-[2-(benzenesulfonamido)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 78847266

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]butanamide?
The IUPAC name of N,N-diethyl-4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]butanamide (CID 60513365) is N,N-diethyl-4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]butanamide.
What is the SMILES notation for N,N-diethyl-4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]butanamide?
The canonical SMILES for N,N-diethyl-4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]butanamide is CCN(CC)C(=O)CCCNC(=O)Cc1csc(-c2cccnc2)n1.
What is the InChIKey of N,N-diethyl-4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]butanamide?
The InChIKey is ASMCYNFHUDKWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-3-22(4-2)17(24)8-6-10-20-16(23)11-15-13-25-18(21-15)14-7-5-9-19-12-14/h5,7,9,12-13H,3-4,6,8,10-11H2,1-2H3,(H,20,23).
What are the key properties of N,N-diethyl-4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]butanamide?
N,N-diethyl-4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]butanamide has a molecular weight of 360.48 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]butanamide is sourced from PubChem (CID 60513365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).