[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-thiomorpholin-4-ylmethanone

C10H15N3OS2 — CID 56815921

IUPAC[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-thiomorpholin-4-ylmethanone
SMILESCNc1snc(C)c1C(=O)N1CCSCC1
InChIInChI=1S/C10H15N3OS2/c1-7-8(9(11-2)16-12-7)10(14)13-3-5-15-6-4-13/h11H,3-6H2,1-2H3
InChIKeyFOUPIQXSDAFLQP-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.68
Rot. Bonds2

About [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-thiomorpholin-4-ylmethanone

[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-thiomorpholin-4-ylmethanone (PubChem CID 56815921) has the molecular formula C10H15N3OS2 and a molecular weight of 257.38 g/mol. Its IUPAC name is [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-thiomorpholin-4-ylmethanone
PubChem CID56815921
Molecular FormulaC10H15N3OS2
Molecular Weight257.38 g/mol
Exact Mass257.07
IUPAC Name[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-thiomorpholin-4-ylmethanone
SMILESCNc1snc(C)c1C(=O)N1CCSCC1
InChIInChI=1S/C10H15N3OS2/c1-7-8(9(11-2)16-12-7)10(14)13-3-5-15-6-4-13/h11H,3-6H2,1-2H3
InChIKeyFOUPIQXSDAFLQP-UHFFFAOYSA-N
XLogP1.68
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-thiomorpholin-4-ylmethanone (CID 56815921) is [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-thiomorpholin-4-ylmethanone is CNc1snc(C)c1C(=O)N1CCSCC1.
What is the InChIKey of [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is FOUPIQXSDAFLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS2/c1-7-8(9(11-2)16-12-7)10(14)13-3-5-15-6-4-13/h11H,3-6H2,1-2H3.
What are the key properties of [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-thiomorpholin-4-ylmethanone?
[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 257.38 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 56815921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).