2-amino-2-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide

C20H22N4OS — CID 120596443

IUPAC2-amino-2-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide
SMILESCC(N)(C(=O)NCCCc1nc(-c2ccncc2)cs1)c1ccccc1
InChIInChI=1S/C20H22N4OS/c1-20(21,16-6-3-2-4-7-16)19(25)23-11-5-8-18-24-17(14-26-18)15-9-12-22-13-10-15/h2-4,6-7,9-10,12-14H,5,8,11,21H2,1H3,(H,23,25)
InChIKeyIWFBAVWZIIOYNX-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.13
Rot. Bonds7

About 2-amino-2-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide

2-amino-2-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide (PubChem CID 120596443) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-amino-2-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide.

Molecular Properties

Compound Name2-amino-2-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide
PubChem CID120596443
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name2-amino-2-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide
SMILESCC(N)(C(=O)NCCCc1nc(-c2ccncc2)cs1)c1ccccc1
InChIInChI=1S/C20H22N4OS/c1-20(21,16-6-3-2-4-7-16)19(25)23-11-5-8-18-24-17(14-26-18)15-9-12-22-13-10-15/h2-4,6-7,9-10,12-14H,5,8,11,21H2,1H3,(H,23,25)
InChIKeyIWFBAVWZIIOYNX-UHFFFAOYSA-N
XLogP3.13
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide?
The IUPAC name of 2-amino-2-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide (CID 120596443) is 2-amino-2-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide.
What is the SMILES notation for 2-amino-2-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide?
The canonical SMILES for 2-amino-2-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide is CC(N)(C(=O)NCCCc1nc(-c2ccncc2)cs1)c1ccccc1.
What is the InChIKey of 2-amino-2-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide?
The InChIKey is IWFBAVWZIIOYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-20(21,16-6-3-2-4-7-16)19(25)23-11-5-8-18-24-17(14-26-18)15-9-12-22-13-10-15/h2-4,6-7,9-10,12-14H,5,8,11,21H2,1H3,(H,23,25).
What are the key properties of 2-amino-2-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide?
2-amino-2-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide has a molecular weight of 366.49 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide is sourced from PubChem (CID 120596443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).