4-(methoxymethyl)-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carbothioamide

C12H19N3O2S2 — CID 82441712

IUPAC4-(methoxymethyl)-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carbothioamide
SMILESCOCc1nc(CCN2CCOCC2)sc1C(N)=S
InChIInChI=1S/C12H19N3O2S2/c1-16-8-9-11(12(13)18)19-10(14-9)2-3-15-4-6-17-7-5-15/h2-8H2,1H3,(H2,13,18)
InChIKeyOXNYZSWLBLOBRS-UHFFFAOYSA-N
MW301.44 g/mol
LogP0.80
Rot. Bonds6

About 4-(methoxymethyl)-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carbothioamide

4-(methoxymethyl)-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carbothioamide (PubChem CID 82441712) has the molecular formula C12H19N3O2S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carbothioamide.

Molecular Properties

Compound Name4-(methoxymethyl)-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carbothioamide
PubChem CID82441712
Molecular FormulaC12H19N3O2S2
Molecular Weight301.44 g/mol
Exact Mass301.09
IUPAC Name4-(methoxymethyl)-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carbothioamide
SMILESCOCc1nc(CCN2CCOCC2)sc1C(N)=S
InChIInChI=1S/C12H19N3O2S2/c1-16-8-9-11(12(13)18)19-10(14-9)2-3-15-4-6-17-7-5-15/h2-8H2,1H3,(H2,13,18)
InChIKeyOXNYZSWLBLOBRS-UHFFFAOYSA-N
XLogP0.80
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carbothioamide?
The IUPAC name of 4-(methoxymethyl)-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carbothioamide (CID 82441712) is 4-(methoxymethyl)-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carbothioamide.
What is the SMILES notation for 4-(methoxymethyl)-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carbothioamide?
The canonical SMILES for 4-(methoxymethyl)-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carbothioamide is COCc1nc(CCN2CCOCC2)sc1C(N)=S.
What is the InChIKey of 4-(methoxymethyl)-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carbothioamide?
The InChIKey is OXNYZSWLBLOBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S2/c1-16-8-9-11(12(13)18)19-10(14-9)2-3-15-4-6-17-7-5-15/h2-8H2,1H3,(H2,13,18).
What are the key properties of 4-(methoxymethyl)-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carbothioamide?
4-(methoxymethyl)-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carbothioamide has a molecular weight of 301.44 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carbothioamide is sourced from PubChem (CID 82441712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).