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

C25H25N5OS — CID 5272483

IUPACN-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-[benzyl(pyridin-2-ylmethyl)amino]propanamide
SMILESNc1nc(-c2ccc(NC(=O)CCN(Cc3ccccc3)Cc3ccccn3)cc2)cs1
InChIInChI=1S/C25H25N5OS/c26-25-29-23(18-32-25)20-9-11-21(12-10-20)28-24(31)13-15-30(16-19-6-2-1-3-7-19)17-22-8-4-5-14-27-22/h1-12,14,18H,13,15-17H2,(H2,26,29)(H,28,31)
InChIKeyKQDDTEXHAGGLCF-UHFFFAOYSA-N
MW443.58 g/mol
LogP4.82
Rot. Bonds9

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

N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-[benzyl(pyridin-2-ylmethyl)amino]propanamide (PubChem CID 5272483) has the molecular formula C25H25N5OS and a molecular weight of 443.58 g/mol. Its IUPAC name is N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-[benzyl(pyridin-2-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-[benzyl(pyridin-2-ylmethyl)amino]propanamide
PubChem CID5272483
Molecular FormulaC25H25N5OS
Molecular Weight443.58 g/mol
Exact Mass443.18
IUPAC NameN-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-[benzyl(pyridin-2-ylmethyl)amino]propanamide
SMILESNc1nc(-c2ccc(NC(=O)CCN(Cc3ccccc3)Cc3ccccn3)cc2)cs1
InChIInChI=1S/C25H25N5OS/c26-25-29-23(18-32-25)20-9-11-21(12-10-20)28-24(31)13-15-30(16-19-6-2-1-3-7-19)17-22-8-4-5-14-27-22/h1-12,14,18H,13,15-17H2,(H2,26,29)(H,28,31)
InChIKeyKQDDTEXHAGGLCF-UHFFFAOYSA-N
XLogP4.82
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.58
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-phenylpropanamide
CID 28865127
tert-butyl N-[3-[4-(2-amino-1,3-thiazol-4-yl)anilino]-3-oxopropyl]-N-benzylcarbamate
CID 5272472
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)cyclohexanecarboxamide
CID 5272333
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-[(1S)-1-phenylethyl]-2-pyridin-2-ylacetamide
CID 5272419
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzyl-2,6-dimethylbenzamide
CID 5272312
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzylcyclopentanecarboxamide
CID 5272322
2-[4-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-phenylacetamide
CID 28856207
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propanamide
CID 896768
N-[3-[4-(2-amino-1,3-thiazol-4-yl)anilino]-3-oxopropyl]-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide
CID 5272470
N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2-phenylacetamide
CID 28865111
N-benzyl-N,N',N'-tris(pyridin-2-ylmethyl)propane-1,3-diamine
CID 101205113
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-phenylbutanamide
CID 2978695

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-[benzyl(pyridin-2-ylmethyl)amino]propanamide?
The IUPAC name of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-[benzyl(pyridin-2-ylmethyl)amino]propanamide (CID 5272483) is N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-[benzyl(pyridin-2-ylmethyl)amino]propanamide.
What is the SMILES notation for N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-[benzyl(pyridin-2-ylmethyl)amino]propanamide?
The canonical SMILES for N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-[benzyl(pyridin-2-ylmethyl)amino]propanamide is Nc1nc(-c2ccc(NC(=O)CCN(Cc3ccccc3)Cc3ccccn3)cc2)cs1.
What is the InChIKey of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-[benzyl(pyridin-2-ylmethyl)amino]propanamide?
The InChIKey is KQDDTEXHAGGLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5OS/c26-25-29-23(18-32-25)20-9-11-21(12-10-20)28-24(31)13-15-30(16-19-6-2-1-3-7-19)17-22-8-4-5-14-27-22/h1-12,14,18H,13,15-17H2,(H2,26,29)(H,28,31).
What are the key properties of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-[benzyl(pyridin-2-ylmethyl)amino]propanamide?
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-[benzyl(pyridin-2-ylmethyl)amino]propanamide has a molecular weight of 443.58 g/mol, XLogP of 4.82, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-[benzyl(pyridin-2-ylmethyl)amino]propanamide is sourced from PubChem (CID 5272483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).