5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-pyridin-3-yl-1,3-thiazol-2-amine

C16H18N4OS2 — CID 5329725

IUPAC5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCC(C)(C)c1cnc(CSc2cnc(Nc3cccnc3)s2)o1
InChIInChI=1S/C16H18N4OS2/c1-16(2,3)12-8-18-13(21-12)10-22-14-9-19-15(23-14)20-11-5-4-6-17-7-11/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyMPJITOINOMJIJI-UHFFFAOYSA-N
MW346.48 g/mol
LogP4.86
Rot. Bonds5

About 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-pyridin-3-yl-1,3-thiazol-2-amine

5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 5329725) has the molecular formula C16H18N4OS2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID5329725
Molecular FormulaC16H18N4OS2
Molecular Weight346.48 g/mol
Exact Mass346.09
IUPAC Name5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCC(C)(C)c1cnc(CSc2cnc(Nc3cccnc3)s2)o1
InChIInChI=1S/C16H18N4OS2/c1-16(2,3)12-8-18-13(21-12)10-22-14-9-19-15(23-14)20-11-5-4-6-17-7-11/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyMPJITOINOMJIJI-UHFFFAOYSA-N
XLogP4.86
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-pyridin-3-yl-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

Frequently Asked Questions

What is the IUPAC name of 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-pyridin-3-yl-1,3-thiazol-2-amine (CID 5329725) is 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-pyridin-3-yl-1,3-thiazol-2-amine is CC(C)(C)c1cnc(CSc2cnc(Nc3cccnc3)s2)o1.
What is the InChIKey of 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is MPJITOINOMJIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS2/c1-16(2,3)12-8-18-13(21-12)10-22-14-9-19-15(23-14)20-11-5-4-6-17-7-11/h4-9H,10H2,1-3H3,(H,19,20).
What are the key properties of 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-pyridin-3-yl-1,3-thiazol-2-amine?
5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 346.48 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 5329725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).