2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)-methylamino]propan-1-ol

C8H15N3OS2 — CID 103365140

IUPAC2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)-methylamino]propan-1-ol
SMILESCSc1c(N)nsc1N(C)C(C)CO
InChIInChI=1S/C8H15N3OS2/c1-5(4-12)11(2)8-6(13-3)7(9)10-14-8/h5,12H,4H2,1-3H3,(H2,9,10)
InChIKeyRLFWZTDIHQCWEK-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.26
Rot. Bonds4

About 2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)-methylamino]propan-1-ol

2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)-methylamino]propan-1-ol (PubChem CID 103365140) has the molecular formula C8H15N3OS2 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)-methylamino]propan-1-ol
PubChem CID103365140
Molecular FormulaC8H15N3OS2
Molecular Weight233.36 g/mol
Exact Mass233.07
IUPAC Name2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)-methylamino]propan-1-ol
SMILESCSc1c(N)nsc1N(C)C(C)CO
InChIInChI=1S/C8H15N3OS2/c1-5(4-12)11(2)8-6(13-3)7(9)10-14-8/h5,12H,4H2,1-3H3,(H2,9,10)
InChIKeyRLFWZTDIHQCWEK-UHFFFAOYSA-N
XLogP1.26
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)-methylamino]propan-1-ol?
The IUPAC name of 2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)-methylamino]propan-1-ol (CID 103365140) is 2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)-methylamino]propan-1-ol.
What is the SMILES notation for 2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)-methylamino]propan-1-ol?
The canonical SMILES for 2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)-methylamino]propan-1-ol is CSc1c(N)nsc1N(C)C(C)CO.
What is the InChIKey of 2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)-methylamino]propan-1-ol?
The InChIKey is RLFWZTDIHQCWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS2/c1-5(4-12)11(2)8-6(13-3)7(9)10-14-8/h5,12H,4H2,1-3H3,(H2,9,10).
What are the key properties of 2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)-methylamino]propan-1-ol?
2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)-methylamino]propan-1-ol has a molecular weight of 233.36 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)-methylamino]propan-1-ol is sourced from PubChem (CID 103365140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).