4-methylsulfanyl-5-morpholin-4-yl-1,2-thiazol-3-amine

C8H13N3OS2 — CID 103362097

IUPAC4-methylsulfanyl-5-morpholin-4-yl-1,2-thiazol-3-amine
SMILESCSc1c(N)nsc1N1CCOCC1
InChIInChI=1S/C8H13N3OS2/c1-13-6-7(9)10-14-8(6)11-2-4-12-5-3-11/h2-5H2,1H3,(H2,9,10)
InChIKeyBLMDLPAWKBTAOQ-UHFFFAOYSA-N
MW231.35 g/mol
LogP1.28
Rot. Bonds2

About 4-methylsulfanyl-5-morpholin-4-yl-1,2-thiazol-3-amine

4-methylsulfanyl-5-morpholin-4-yl-1,2-thiazol-3-amine (PubChem CID 103362097) has the molecular formula C8H13N3OS2 and a molecular weight of 231.35 g/mol. Its IUPAC name is 4-methylsulfanyl-5-morpholin-4-yl-1,2-thiazol-3-amine.

Molecular Properties

Compound Name4-methylsulfanyl-5-morpholin-4-yl-1,2-thiazol-3-amine
PubChem CID103362097
Molecular FormulaC8H13N3OS2
Molecular Weight231.35 g/mol
Exact Mass231.05
IUPAC Name4-methylsulfanyl-5-morpholin-4-yl-1,2-thiazol-3-amine
SMILESCSc1c(N)nsc1N1CCOCC1
InChIInChI=1S/C8H13N3OS2/c1-13-6-7(9)10-14-8(6)11-2-4-12-5-3-11/h2-5H2,1H3,(H2,9,10)
InChIKeyBLMDLPAWKBTAOQ-UHFFFAOYSA-N
XLogP1.28
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-5-morpholin-4-yl-1,2-thiazol-3-amine?
The IUPAC name of 4-methylsulfanyl-5-morpholin-4-yl-1,2-thiazol-3-amine (CID 103362097) is 4-methylsulfanyl-5-morpholin-4-yl-1,2-thiazol-3-amine.
What is the SMILES notation for 4-methylsulfanyl-5-morpholin-4-yl-1,2-thiazol-3-amine?
The canonical SMILES for 4-methylsulfanyl-5-morpholin-4-yl-1,2-thiazol-3-amine is CSc1c(N)nsc1N1CCOCC1.
What is the InChIKey of 4-methylsulfanyl-5-morpholin-4-yl-1,2-thiazol-3-amine?
The InChIKey is BLMDLPAWKBTAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS2/c1-13-6-7(9)10-14-8(6)11-2-4-12-5-3-11/h2-5H2,1H3,(H2,9,10).
What are the key properties of 4-methylsulfanyl-5-morpholin-4-yl-1,2-thiazol-3-amine?
4-methylsulfanyl-5-morpholin-4-yl-1,2-thiazol-3-amine has a molecular weight of 231.35 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-5-morpholin-4-yl-1,2-thiazol-3-amine is sourced from PubChem (CID 103362097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).