5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine

C13H19N3OS2 — CID 22971176

IUPAC5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCCc1cnc(CSc2cnc(NCC(C)C)s2)o1
InChIInChI=1S/C13H19N3OS2/c1-4-10-6-14-11(17-10)8-18-12-7-16-13(19-12)15-5-9(2)3/h6-7,9H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyXEQPEXDYCWMKNA-UHFFFAOYSA-N
MW297.45 g/mol
LogP4.05
Rot. Bonds7

About 5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine

5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine (PubChem CID 22971176) has the molecular formula C13H19N3OS2 and a molecular weight of 297.45 g/mol. Its IUPAC name is 5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine
PubChem CID22971176
Molecular FormulaC13H19N3OS2
Molecular Weight297.45 g/mol
Exact Mass297.10
IUPAC Name5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCCc1cnc(CSc2cnc(NCC(C)C)s2)o1
InChIInChI=1S/C13H19N3OS2/c1-4-10-6-14-11(17-10)8-18-12-7-16-13(19-12)15-5-9(2)3/h6-7,9H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyXEQPEXDYCWMKNA-UHFFFAOYSA-N
XLogP4.05
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-N-(2-methylpropyl)-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

1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(2-methylpropyl)urea
CID 22970860
N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 22971369
2-amino-N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-phenylacetamide
CID 22971008
N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 89317200
N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(1-methylimidazol-4-yl)acetamide
CID 22971276
N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2,3-dimethylbenzamide
CID 22971290
2-(2-chlorophenyl)-N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide
CID 22970918
N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1H-indole-3-carboxamide
CID 22971266
N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 22971264
2-[2-[[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-hydroxybenzeneamine oxide
CID 163572889
N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1H-indole-5-carboxamide
CID 22971268
1-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(1H-indazol-6-yl)urea
CID 22970821

Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine (CID 22971176) is 5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine is CCc1cnc(CSc2cnc(NCC(C)C)s2)o1.
What is the InChIKey of 5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The InChIKey is XEQPEXDYCWMKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS2/c1-4-10-6-14-11(17-10)8-18-12-7-16-13(19-12)15-5-9(2)3/h6-7,9H,4-5,8H2,1-3H3,(H,15,16).
What are the key properties of 5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine?
5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine has a molecular weight of 297.45 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 22971176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).