5-[[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine

C18H21N5OS — CID 120903258

IUPAC5-[[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCN(Cc3ncc(-c4ccccc4)o3)CC2)s1
InChIInChI=1S/C18H21N5OS/c19-18-21-10-15(25-18)12-22-6-8-23(9-7-22)13-17-20-11-16(24-17)14-4-2-1-3-5-14/h1-5,10-11H,6-9,12-13H2,(H2,19,21)
InChIKeyFSRWXMIVYVCVKP-UHFFFAOYSA-N
MW355.47 g/mol
LogP2.70
Rot. Bonds5

About 5-[[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine

5-[[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 120903258) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is 5-[[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID120903258
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name5-[[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCN(Cc3ncc(-c4ccccc4)o3)CC2)s1
InChIInChI=1S/C18H21N5OS/c19-18-21-10-15(25-18)12-22-6-8-23(9-7-22)13-17-20-11-16(24-17)14-4-2-1-3-5-14/h1-5,10-11H,6-9,12-13H2,(H2,19,21)
InChIKeyFSRWXMIVYVCVKP-UHFFFAOYSA-N
XLogP2.70
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79015163
5-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 82171608
5-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897629
5-phenyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 18167942
4-hydroxy-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxylic acid
CID 167922914
2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-N-propylacetamide
CID 18088526
5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120902080
2,6-dimethyl-4-[(5-phenyl-1,3-oxazol-2-yl)methyl]morpholine
CID 51072746
2-amino-3-phenyl-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119882152
5-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897575
5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897925
2-[[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methyl]-5-phenyl-1,3-oxazole
CID 47543081

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine (CID 120903258) is 5-[[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine is Nc1ncc(CN2CCN(Cc3ncc(-c4ccccc4)o3)CC2)s1.
What is the InChIKey of 5-[[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is FSRWXMIVYVCVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c19-18-21-10-15(25-18)12-22-6-8-23(9-7-22)13-17-20-11-16(24-17)14-4-2-1-3-5-14/h1-5,10-11H,6-9,12-13H2,(H2,19,21).
What are the key properties of 5-[[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine?
5-[[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 355.47 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120903258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).