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

C12H14N2OS2 — CID 102939748

IUPAC4-methyl-5-(phenylmethoxymethylsulfanyl)-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SCOCc1ccccc1
InChIInChI=1S/C12H14N2OS2/c1-9-11(17-12(13)14-9)16-8-15-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H2,13,14)
InChIKeyCQQAUUYSONUUSY-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.30
Rot. Bonds5

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

4-methyl-5-(phenylmethoxymethylsulfanyl)-1,3-thiazol-2-amine (PubChem CID 102939748) has the molecular formula C12H14N2OS2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-methyl-5-(phenylmethoxymethylsulfanyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-(phenylmethoxymethylsulfanyl)-1,3-thiazol-2-amine
PubChem CID102939748
Molecular FormulaC12H14N2OS2
Molecular Weight266.39 g/mol
Exact Mass266.05
IUPAC Name4-methyl-5-(phenylmethoxymethylsulfanyl)-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SCOCc1ccccc1
InChIInChI=1S/C12H14N2OS2/c1-9-11(17-12(13)14-9)16-8-15-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H2,13,14)
InChIKeyCQQAUUYSONUUSY-UHFFFAOYSA-N
XLogP3.30
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(phenylmethoxymethylsulfanyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-(phenylmethoxymethylsulfanyl)-1,3-thiazol-2-amine (CID 102939748) is 4-methyl-5-(phenylmethoxymethylsulfanyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-(phenylmethoxymethylsulfanyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-(phenylmethoxymethylsulfanyl)-1,3-thiazol-2-amine is Cc1nc(N)sc1SCOCc1ccccc1.
What is the InChIKey of 4-methyl-5-(phenylmethoxymethylsulfanyl)-1,3-thiazol-2-amine?
The InChIKey is CQQAUUYSONUUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS2/c1-9-11(17-12(13)14-9)16-8-15-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H2,13,14).
What are the key properties of 4-methyl-5-(phenylmethoxymethylsulfanyl)-1,3-thiazol-2-amine?
4-methyl-5-(phenylmethoxymethylsulfanyl)-1,3-thiazol-2-amine has a molecular weight of 266.39 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(phenylmethoxymethylsulfanyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 102939748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).