(4S)-2-iodo-4-methyl-4,5-dihydro-1,3-thiazole

C4H6INS — CID 126727421

IUPAC(4S)-2-iodo-4-methyl-4,5-dihydro-1,3-thiazole
SMILESC[C@H]1CSC(I)=N1
InChIInChI=1S/C4H6INS/c1-3-2-7-4(5)6-3/h3H,2H2,1H3/t3-/m0/s1
InChIKeyXFFWQBFFDBXKBU-VKHMYHEASA-N
MW227.07 g/mol
LogP1.91
Rot. Bonds

About (4S)-2-iodo-4-methyl-4,5-dihydro-1,3-thiazole

(4S)-2-iodo-4-methyl-4,5-dihydro-1,3-thiazole (PubChem CID 126727421) has the molecular formula C4H6INS and a molecular weight of 227.07 g/mol. Its IUPAC name is (4S)-2-iodo-4-methyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(4S)-2-iodo-4-methyl-4,5-dihydro-1,3-thiazole
PubChem CID126727421
Molecular FormulaC4H6INS
Molecular Weight227.07 g/mol
Exact Mass226.93
IUPAC Name(4S)-2-iodo-4-methyl-4,5-dihydro-1,3-thiazole
SMILESC[C@H]1CSC(I)=N1
InChIInChI=1S/C4H6INS/c1-3-2-7-4(5)6-3/h3H,2H2,1H3/t3-/m0/s1
InChIKeyXFFWQBFFDBXKBU-VKHMYHEASA-N
XLogP1.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.07
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-iodo-4-methyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of (4S)-2-iodo-4-methyl-4,5-dihydro-1,3-thiazole (CID 126727421) is (4S)-2-iodo-4-methyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for (4S)-2-iodo-4-methyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for (4S)-2-iodo-4-methyl-4,5-dihydro-1,3-thiazole is C[C@H]1CSC(I)=N1.
What is the InChIKey of (4S)-2-iodo-4-methyl-4,5-dihydro-1,3-thiazole?
The InChIKey is XFFWQBFFDBXKBU-VKHMYHEASA-N. The full InChI is InChI=1S/C4H6INS/c1-3-2-7-4(5)6-3/h3H,2H2,1H3/t3-/m0/s1.
What are the key properties of (4S)-2-iodo-4-methyl-4,5-dihydro-1,3-thiazole?
(4S)-2-iodo-4-methyl-4,5-dihydro-1,3-thiazole has a molecular weight of 227.07 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-iodo-4-methyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 126727421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).