4-methyl-5-(oxan-4-ylsulfanyl)-1,3-thiazol-2-amine

C9H14N2OS2 — CID 63934809

IUPAC4-methyl-5-(oxan-4-ylsulfanyl)-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SC1CCOCC1
InChIInChI=1S/C9H14N2OS2/c1-6-8(14-9(10)11-6)13-7-2-4-12-5-3-7/h7H,2-5H2,1H3,(H2,10,11)
InChIKeySGYKREJNHRMMNF-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.30
Rot. Bonds2

About 4-methyl-5-(oxan-4-ylsulfanyl)-1,3-thiazol-2-amine

4-methyl-5-(oxan-4-ylsulfanyl)-1,3-thiazol-2-amine (PubChem CID 63934809) has the molecular formula C9H14N2OS2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 4-methyl-5-(oxan-4-ylsulfanyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-(oxan-4-ylsulfanyl)-1,3-thiazol-2-amine
PubChem CID63934809
Molecular FormulaC9H14N2OS2
Molecular Weight230.36 g/mol
Exact Mass230.05
IUPAC Name4-methyl-5-(oxan-4-ylsulfanyl)-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SC1CCOCC1
InChIInChI=1S/C9H14N2OS2/c1-6-8(14-9(10)11-6)13-7-2-4-12-5-3-7/h7H,2-5H2,1H3,(H2,10,11)
InChIKeySGYKREJNHRMMNF-UHFFFAOYSA-N
XLogP2.30
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(oxan-4-ylsulfanyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-(oxan-4-ylsulfanyl)-1,3-thiazol-2-amine (CID 63934809) is 4-methyl-5-(oxan-4-ylsulfanyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-(oxan-4-ylsulfanyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-(oxan-4-ylsulfanyl)-1,3-thiazol-2-amine is Cc1nc(N)sc1SC1CCOCC1.
What is the InChIKey of 4-methyl-5-(oxan-4-ylsulfanyl)-1,3-thiazol-2-amine?
The InChIKey is SGYKREJNHRMMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS2/c1-6-8(14-9(10)11-6)13-7-2-4-12-5-3-7/h7H,2-5H2,1H3,(H2,10,11).
What are the key properties of 4-methyl-5-(oxan-4-ylsulfanyl)-1,3-thiazol-2-amine?
4-methyl-5-(oxan-4-ylsulfanyl)-1,3-thiazol-2-amine has a molecular weight of 230.36 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(oxan-4-ylsulfanyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 63934809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).