2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-(4-pyrrolidin-1-ylbutyl)acetamide

C18H24N4OS — CID 39084461

IUPAC2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-(4-pyrrolidin-1-ylbutyl)acetamide
SMILESO=C(Cc1csc(-c2cccnc2)n1)NCCCCN1CCCC1
InChIInChI=1S/C18H24N4OS/c23-17(20-8-1-2-9-22-10-3-4-11-22)12-16-14-24-18(21-16)15-6-5-7-19-13-15/h5-7,13-14H,1-4,8-12H2,(H,20,23)
InChIKeyZNIIHHGLGFWURK-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.74
Rot. Bonds8

About 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-(4-pyrrolidin-1-ylbutyl)acetamide

2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-(4-pyrrolidin-1-ylbutyl)acetamide (PubChem CID 39084461) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-(4-pyrrolidin-1-ylbutyl)acetamide.

Molecular Properties

Compound Name2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-(4-pyrrolidin-1-ylbutyl)acetamide
PubChem CID39084461
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-(4-pyrrolidin-1-ylbutyl)acetamide
SMILESO=C(Cc1csc(-c2cccnc2)n1)NCCCCN1CCCC1
InChIInChI=1S/C18H24N4OS/c23-17(20-8-1-2-9-22-10-3-4-11-22)12-16-14-24-18(21-16)15-6-5-7-19-13-15/h5-7,13-14H,1-4,8-12H2,(H,20,23)
InChIKeyZNIIHHGLGFWURK-UHFFFAOYSA-N
XLogP2.74
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.74
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-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-butoxypropyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 134015193
N,N-diethyl-4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]butanamide
CID 60513365
2-[2-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]ethylsulfanyl]acetic acid
CID 119242469
N-(pyridin-3-ylmethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39084438
N-(1-piperidin-1-ylbutan-2-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 16674001
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55720543
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylbutyl)acetamide
CID 82547503
N-[2-(benzenesulfonamido)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 78847266
(2S)-4-methyl-2-[[2-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetyl]amino]pentanoic acid
CID 120694359

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-(4-pyrrolidin-1-ylbutyl)acetamide?
The IUPAC name of 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-(4-pyrrolidin-1-ylbutyl)acetamide (CID 39084461) is 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-(4-pyrrolidin-1-ylbutyl)acetamide.
What is the SMILES notation for 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-(4-pyrrolidin-1-ylbutyl)acetamide?
The canonical SMILES for 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-(4-pyrrolidin-1-ylbutyl)acetamide is O=C(Cc1csc(-c2cccnc2)n1)NCCCCN1CCCC1.
What is the InChIKey of 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-(4-pyrrolidin-1-ylbutyl)acetamide?
The InChIKey is ZNIIHHGLGFWURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c23-17(20-8-1-2-9-22-10-3-4-11-22)12-16-14-24-18(21-16)15-6-5-7-19-13-15/h5-7,13-14H,1-4,8-12H2,(H,20,23).
What are the key properties of 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-(4-pyrrolidin-1-ylbutyl)acetamide?
2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-(4-pyrrolidin-1-ylbutyl)acetamide has a molecular weight of 344.48 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-(4-pyrrolidin-1-ylbutyl)acetamide is sourced from PubChem (CID 39084461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).