[(5S)-2-morpholin-4-yl-4,5-dihydro-1,3-thiazol-5-yl]methyl carbamimidothioate

C9H16N4OS2 — CID 40500754

IUPAC[(5S)-2-morpholin-4-yl-4,5-dihydro-1,3-thiazol-5-yl]methyl carbamimidothioate
SMILES[H]/N=C(\N)SC[C@@H]1CN=C(N2CCOCC2)S1
InChIInChI=1S/C9H16N4OS2/c10-8(11)15-6-7-5-12-9(16-7)13-1-3-14-4-2-13/h7H,1-6H2,(H3,10,11)/t7-/m0/s1
InChIKeyMBUKRFNZQZHIRW-ZETCQYMHSA-N
MW260.39 g/mol
LogP0.42
Rot. Bonds2

About [(5S)-2-morpholin-4-yl-4,5-dihydro-1,3-thiazol-5-yl]methyl carbamimidothioate

[(5S)-2-morpholin-4-yl-4,5-dihydro-1,3-thiazol-5-yl]methyl carbamimidothioate (PubChem CID 40500754) has the molecular formula C9H16N4OS2 and a molecular weight of 260.39 g/mol. Its IUPAC name is [(5S)-2-morpholin-4-yl-4,5-dihydro-1,3-thiazol-5-yl]methyl carbamimidothioate.

Molecular Properties

Compound Name[(5S)-2-morpholin-4-yl-4,5-dihydro-1,3-thiazol-5-yl]methyl carbamimidothioate
PubChem CID40500754
Molecular FormulaC9H16N4OS2
Molecular Weight260.39 g/mol
Exact Mass260.08
IUPAC Name[(5S)-2-morpholin-4-yl-4,5-dihydro-1,3-thiazol-5-yl]methyl carbamimidothioate
SMILES[H]/N=C(\N)SC[C@@H]1CN=C(N2CCOCC2)S1
InChIInChI=1S/C9H16N4OS2/c10-8(11)15-6-7-5-12-9(16-7)13-1-3-14-4-2-13/h7H,1-6H2,(H3,10,11)/t7-/m0/s1
InChIKeyMBUKRFNZQZHIRW-ZETCQYMHSA-N
XLogP0.42
TPSA74.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.39
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[2-(4-Morpholinyl)-4,5-dihydro-1,3-thiazol-5-yl]methyl imidothiocarbamate dihydrobromide
CID 2836367
[2-(4-Morpholinyl)-4,5-dihydro-1,3-thiazol-5-yl]methyl imidothiocarbamate
CID 2836368
4-[2-(4,5-dihydro-1H-imidazole-1,3-diium-2-ylsulfanyl)ethyl]morpholine
CID 4609185
[(5R)-2-morpholin-4-yl-4,5-dihydro-1,3-thiazol-5-yl]methyl carbamimidothioate
CID 40500753
2-morpholin-4-ylethyl N-(diaminomethylidene)carbamimidothioate
CID 83082790
(4-ethylmorpholin-2-yl)methyl N-(diaminomethylidene)carbamimidothioate
CID 83082960
(4-methylmorpholin-2-yl)methyl N-(diaminomethylidene)carbamimidothioate
CID 83083455

Frequently Asked Questions

What is the IUPAC name of [(5S)-2-morpholin-4-yl-4,5-dihydro-1,3-thiazol-5-yl]methyl carbamimidothioate?
The IUPAC name of [(5S)-2-morpholin-4-yl-4,5-dihydro-1,3-thiazol-5-yl]methyl carbamimidothioate (CID 40500754) is [(5S)-2-morpholin-4-yl-4,5-dihydro-1,3-thiazol-5-yl]methyl carbamimidothioate.
What is the SMILES notation for [(5S)-2-morpholin-4-yl-4,5-dihydro-1,3-thiazol-5-yl]methyl carbamimidothioate?
The canonical SMILES for [(5S)-2-morpholin-4-yl-4,5-dihydro-1,3-thiazol-5-yl]methyl carbamimidothioate is [H]/N=C(\N)SC[C@@H]1CN=C(N2CCOCC2)S1.
What is the InChIKey of [(5S)-2-morpholin-4-yl-4,5-dihydro-1,3-thiazol-5-yl]methyl carbamimidothioate?
The InChIKey is MBUKRFNZQZHIRW-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16N4OS2/c10-8(11)15-6-7-5-12-9(16-7)13-1-3-14-4-2-13/h7H,1-6H2,(H3,10,11)/t7-/m0/s1.
What are the key properties of [(5S)-2-morpholin-4-yl-4,5-dihydro-1,3-thiazol-5-yl]methyl carbamimidothioate?
[(5S)-2-morpholin-4-yl-4,5-dihydro-1,3-thiazol-5-yl]methyl carbamimidothioate has a molecular weight of 260.39 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-2-morpholin-4-yl-4,5-dihydro-1,3-thiazol-5-yl]methyl carbamimidothioate is sourced from PubChem (CID 40500754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).