[(5S)-2-imino-3-methyl-1,3-thiazolidin-5-yl]methyl carbamimidothioate

C6H12N4S2 — CID 99865416

IUPAC[(5S)-2-imino-3-methyl-1,3-thiazolidin-5-yl]methyl carbamimidothioate
SMILES[H]/N=C1\S[C@H](CS/C(N)=N/[H])CN1C
InChIInChI=1S/C6H12N4S2/c1-10-2-4(12-6(10)9)3-11-5(7)8/h4,9H,2-3H2,1H3,(H3,7,8)/b9-6-/t4-/m0/s1
InChIKeySVJZFTQIMMLTJH-WXTCEUJSSA-N
MW204.32 g/mol
LogP0.60
Rot. Bonds2

About [(5S)-2-imino-3-methyl-1,3-thiazolidin-5-yl]methyl carbamimidothioate

[(5S)-2-imino-3-methyl-1,3-thiazolidin-5-yl]methyl carbamimidothioate (PubChem CID 99865416) has the molecular formula C6H12N4S2 and a molecular weight of 204.32 g/mol. Its IUPAC name is [(5S)-2-imino-3-methyl-1,3-thiazolidin-5-yl]methyl carbamimidothioate.

Molecular Properties

Compound Name[(5S)-2-imino-3-methyl-1,3-thiazolidin-5-yl]methyl carbamimidothioate
PubChem CID99865416
Molecular FormulaC6H12N4S2
Molecular Weight204.32 g/mol
Exact Mass204.05
IUPAC Name[(5S)-2-imino-3-methyl-1,3-thiazolidin-5-yl]methyl carbamimidothioate
SMILES[H]/N=C1\S[C@H](CS/C(N)=N/[H])CN1C
InChIInChI=1S/C6H12N4S2/c1-10-2-4(12-6(10)9)3-11-5(7)8/h4,9H,2-3H2,1H3,(H3,7,8)/b9-6-/t4-/m0/s1
InChIKeySVJZFTQIMMLTJH-WXTCEUJSSA-N
XLogP0.60
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(dimethylamino)-4,5-dihydro-1,3-thiazol-5-yl]methyl carbamimidothioate bromide
CID 53350626
[(2S)-1-methylpyrrolidin-2-yl]methyl carbamimidothioate;dihydrochloride
CID 70399229
[(4R,5R)-5-[(4S,5S)-5-(carbamimidoylsulfanylmethyl)-1,3-dioxolan-4-yl]-1,3-dioxolan-4-yl]methyl carbamimidothioate
CID 92526766
2-carbamimidoylsulfanylethyl carbamimidothioate dibromide
CID 21236844
[(2R,4S)-5-oxo-4-propyloxolan-2-yl]methyl carbamimidothioate
CID 6339332
3,3,4,4,5,5,5-heptafluoropentyl carbamimidothioate
CID 87719259
[3-(cyanomethyl)cyclobutyl]methyl carbamimidothioate;hydrochloride
CID 91616609
[2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl] carbamimidothioate
CID 36521926
2-methylsulfonylethyl carbamimidothioate
CID 3799956
[4-amino-5-(carbamimidoylsulfanylmethyl)-1,2,4-triazol-3-yl]methyl carbamimidothioate
CID 59497835
2-hydrazinylideneethyl carbamimidothioate
CID 171036739
4-pyrrolidin-1-ylbutyl carbamimidothioate
CID 24844039

Frequently Asked Questions

What is the IUPAC name of [(5S)-2-imino-3-methyl-1,3-thiazolidin-5-yl]methyl carbamimidothioate?
The IUPAC name of [(5S)-2-imino-3-methyl-1,3-thiazolidin-5-yl]methyl carbamimidothioate (CID 99865416) is [(5S)-2-imino-3-methyl-1,3-thiazolidin-5-yl]methyl carbamimidothioate.
What is the SMILES notation for [(5S)-2-imino-3-methyl-1,3-thiazolidin-5-yl]methyl carbamimidothioate?
The canonical SMILES for [(5S)-2-imino-3-methyl-1,3-thiazolidin-5-yl]methyl carbamimidothioate is [H]/N=C1\S[C@H](CS/C(N)=N/[H])CN1C.
What is the InChIKey of [(5S)-2-imino-3-methyl-1,3-thiazolidin-5-yl]methyl carbamimidothioate?
The InChIKey is SVJZFTQIMMLTJH-WXTCEUJSSA-N. The full InChI is InChI=1S/C6H12N4S2/c1-10-2-4(12-6(10)9)3-11-5(7)8/h4,9H,2-3H2,1H3,(H3,7,8)/b9-6-/t4-/m0/s1.
What are the key properties of [(5S)-2-imino-3-methyl-1,3-thiazolidin-5-yl]methyl carbamimidothioate?
[(5S)-2-imino-3-methyl-1,3-thiazolidin-5-yl]methyl carbamimidothioate has a molecular weight of 204.32 g/mol, XLogP of 0.60, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-2-imino-3-methyl-1,3-thiazolidin-5-yl]methyl carbamimidothioate is sourced from PubChem (CID 99865416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).