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

C15H19N3OS — CID 110329967

IUPACN-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
SMILESCCCCNC(=O)CCc1csc(-c2ccncc2)n1
InChIInChI=1S/C15H19N3OS/c1-2-3-8-17-14(19)5-4-13-11-20-15(18-13)12-6-9-16-10-7-12/h6-7,9-11H,2-5,8H2,1H3,(H,17,19)
InChIKeyRWPPYXLXAYRONL-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.05
Rot. Bonds7

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

N-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide (PubChem CID 110329967) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
PubChem CID110329967
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
SMILESCCCCNC(=O)CCc1csc(-c2ccncc2)n1
InChIInChI=1S/C15H19N3OS/c1-2-3-8-17-14(19)5-4-13-11-20-15(18-13)12-6-9-16-10-7-12/h6-7,9-11H,2-5,8H2,1H3,(H,17,19)
InChIKeyRWPPYXLXAYRONL-UHFFFAOYSA-N
XLogP3.05
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.05
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-(3-phenylpropyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330030
3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 110675529
3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 112500664
N-[2-(4-methoxyphenoxy)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330031
N-tert-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330032
N-(1-hydroxypropan-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110428238
N-[3-(diethylamino)propyl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetamide
CID 39084376
3-(3-chlorophenyl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110624995
N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 118789706
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]butanamide
CID 35345566
N-(2-methoxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide
CID 110332864
N-(4-methyl-1,3-thiazol-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110675542

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide (CID 110329967) is N-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide is CCCCNC(=O)CCc1csc(-c2ccncc2)n1.
What is the InChIKey of N-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
The InChIKey is RWPPYXLXAYRONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-2-3-8-17-14(19)5-4-13-11-20-15(18-13)12-6-9-16-10-7-12/h6-7,9-11H,2-5,8H2,1H3,(H,17,19).
What are the key properties of N-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
N-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide has a molecular weight of 289.40 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 110329967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).