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

C20H21N3OS — CID 110330030

IUPACN-(3-phenylpropyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
SMILESO=C(CCc1csc(-c2ccncc2)n1)NCCCc1ccccc1
InChIInChI=1S/C20H21N3OS/c24-19(22-12-4-7-16-5-2-1-3-6-16)9-8-18-15-25-20(23-18)17-10-13-21-14-11-17/h1-3,5-6,10-11,13-15H,4,7-9,12H2,(H,22,24)
InChIKeyLLTATNQLKKCUHC-UHFFFAOYSA-N
MW351.48 g/mol
LogP3.89
Rot. Bonds8

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

N-(3-phenylpropyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide (PubChem CID 110330030) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is N-(3-phenylpropyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
PubChem CID110330030
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC NameN-(3-phenylpropyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
SMILESO=C(CCc1csc(-c2ccncc2)n1)NCCCc1ccccc1
InChIInChI=1S/C20H21N3OS/c24-19(22-12-4-7-16-5-2-1-3-6-16)9-8-18-15-25-20(23-18)17-10-13-21-14-11-17/h1-3,5-6,10-11,13-15H,4,7-9,12H2,(H,22,24)
InChIKeyLLTATNQLKKCUHC-UHFFFAOYSA-N
XLogP3.89
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 53.89
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

3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 112500664
N-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110329967
3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 110675529
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-phenylpropanamide
CID 7522122
3-(3-chlorophenyl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110624995
N-(2-methoxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide
CID 110332864
4-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 119266976
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-[(2-methoxyphenyl)methyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110329998
7-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]heptanamide
CID 119681392
5-oxo-5-phenyl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pentanamide
CID 108749242

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-(3-phenylpropyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide (CID 110330030) is N-(3-phenylpropyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-(3-phenylpropyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-(3-phenylpropyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide is O=C(CCc1csc(-c2ccncc2)n1)NCCCc1ccccc1.
What is the InChIKey of N-(3-phenylpropyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
The InChIKey is LLTATNQLKKCUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c24-19(22-12-4-7-16-5-2-1-3-6-16)9-8-18-15-25-20(23-18)17-10-13-21-14-11-17/h1-3,5-6,10-11,13-15H,4,7-9,12H2,(H,22,24).
What are the key properties of N-(3-phenylpropyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
N-(3-phenylpropyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide has a molecular weight of 351.48 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 110330030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).