3-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-amine iodide

C4H9IN2S — CID 71376412

IUPAC3-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-amine iodide
SMILESC[N+]1=C(N)SCC1.[I-]
InChIInChI=1S/C4H8N2S.HI/c1-6-2-3-7-4(6)5;/h5H,2-3H2,1H3;1H
InChIKeyYBQSXVIUCDNVNV-UHFFFAOYSA-N
MW244.10 g/mol
LogP-3.31
Rot. Bonds

About 3-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-amine iodide

3-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-amine iodide (PubChem CID 71376412) has the molecular formula C4H9IN2S and a molecular weight of 244.10 g/mol. Its IUPAC name is 3-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-amine iodide.

Molecular Properties

Compound Name3-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-amine iodide
PubChem CID71376412
Molecular FormulaC4H9IN2S
Molecular Weight244.10 g/mol
Exact Mass243.95
IUPAC Name3-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-amine iodide
SMILESC[N+]1=C(N)SCC1.[I-]
InChIInChI=1S/C4H8N2S.HI/c1-6-2-3-7-4(6)5;/h5H,2-3H2,1H3;1H
InChIKeyYBQSXVIUCDNVNV-UHFFFAOYSA-N
XLogP-3.31
TPSA29.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.10
LogP ≤ 5-3.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

5-Methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 544920
Ethanaminium, 2-((imino(methylamino)methyl)thio)-N,N,N-trimethyl-, bromide, hydrobromide (1:1:1)
CID 56842718
2-Dimethylaminothiazoline
CID 12217249
2-Amino-5-methyl-2-thiazoline hydrobromide
CID 129831691
ethyl N'-ethylcarbamimidothioate;hydrobromide
CID 24195856
2-(N'-ethylcarbamimidoyl)sulfanylethyl-trimethylazanium
CID 20843860
triethyl-[2-(N'-methylcarbamimidoyl)sulfanylethyl]azanium
CID 214864
N'-(4,5-dihydro-1,3-thiazol-2-yl)-N,N-dimethylmethanimidamide
CID 10607023
ethyl N'-ethylcarbamimidothioate
CID 426859
(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 7067727
(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 7601792
N,N,5-trimethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 12718867

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-amine iodide?
The IUPAC name of 3-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-amine iodide (CID 71376412) is 3-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-amine iodide.
What is the SMILES notation for 3-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-amine iodide?
The canonical SMILES for 3-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-amine iodide is C[N+]1=C(N)SCC1.[I-].
What is the InChIKey of 3-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-amine iodide?
The InChIKey is YBQSXVIUCDNVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2S.HI/c1-6-2-3-7-4(6)5;/h5H,2-3H2,1H3;1H.
What are the key properties of 3-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-amine iodide?
3-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-amine iodide has a molecular weight of 244.10 g/mol, XLogP of -3.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-amine iodide is sourced from PubChem (CID 71376412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).