5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine

C9H12N4OS2 — CID 43250000

IUPAC5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine
SMILESCC(C)c1noc(CSc2cnc(N)s2)n1
InChIInChI=1S/C9H12N4OS2/c1-5(2)8-12-6(14-13-8)4-15-7-3-11-9(10)16-7/h3,5H,4H2,1-2H3,(H2,10,11)
InChIKeyLLQICDYBIVESGD-UHFFFAOYSA-N
MW256.36 g/mol
LogP2.52
Rot. Bonds4

About 5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine

5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine (PubChem CID 43250000) has the molecular formula C9H12N4OS2 and a molecular weight of 256.36 g/mol. Its IUPAC name is 5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine
PubChem CID43250000
Molecular FormulaC9H12N4OS2
Molecular Weight256.36 g/mol
Exact Mass256.05
IUPAC Name5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine
SMILESCC(C)c1noc(CSc2cnc(N)s2)n1
InChIInChI=1S/C9H12N4OS2/c1-5(2)8-12-6(14-13-8)4-15-7-3-11-9(10)16-7/h3,5H,4H2,1-2H3,(H2,10,11)
InChIKeyLLQICDYBIVESGD-UHFFFAOYSA-N
XLogP2.52
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine
CID 28782690
5-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,3-thiazol-2-amine
CID 43249999
5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine
CID 43250103
5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3-thiazol-2-amine
CID 43249825
4-methyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]aniline
CID 79140869
4-chloro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]aniline
CID 79528473
5-chloro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]aniline
CID 43250867
5-[(5-ethylthiophen-2-yl)methylsulfanyl]-1,3-thiazol-2-amine
CID 24706770
5-(1,2,4-oxadiazol-3-ylmethylsulfanyl)-1,3-thiazol-2-amine
CID 28782682
[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanol
CID 113371993
5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-amine
CID 43249855
2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 25220842

Frequently Asked Questions

What is the IUPAC name of 5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine (CID 43250000) is 5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine is CC(C)c1noc(CSc2cnc(N)s2)n1.
What is the InChIKey of 5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine?
The InChIKey is LLQICDYBIVESGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS2/c1-5(2)8-12-6(14-13-8)4-15-7-3-11-9(10)16-7/h3,5H,4H2,1-2H3,(H2,10,11).
What are the key properties of 5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine?
5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine has a molecular weight of 256.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 43250000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).