5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine

C9H11N3OS2 — CID 28782672

IUPAC5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine
SMILESCc1noc(C)c1CSc1cnc(N)s1
InChIInChI=1S/C9H11N3OS2/c1-5-7(6(2)13-12-5)4-14-8-3-11-9(10)15-8/h3H,4H2,1-2H3,(H2,10,11)
InChIKeyPLUDSPOOIKHRQK-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.62
Rot. Bonds3

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

5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine (PubChem CID 28782672) has the molecular formula C9H11N3OS2 and a molecular weight of 241.34 g/mol. Its IUPAC name is 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine
PubChem CID28782672
Molecular FormulaC9H11N3OS2
Molecular Weight241.34 g/mol
Exact Mass241.03
IUPAC Name5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine
SMILESCc1noc(C)c1CSc1cnc(N)s1
InChIInChI=1S/C9H11N3OS2/c1-5-7(6(2)13-12-5)4-14-8-3-11-9(10)15-8/h3H,4H2,1-2H3,(H2,10,11)
InChIKeyPLUDSPOOIKHRQK-UHFFFAOYSA-N
XLogP2.62
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine (CID 28782672) is 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine is Cc1noc(C)c1CSc1cnc(N)s1.
What is the InChIKey of 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine?
The InChIKey is PLUDSPOOIKHRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS2/c1-5-7(6(2)13-12-5)4-14-8-3-11-9(10)15-8/h3H,4H2,1-2H3,(H2,10,11).
What are the key properties of 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine?
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine has a molecular weight of 241.34 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 28782672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).