5-(iodomethyl)-N-(6-methyl-2-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine;hydroiodide

C10H13I2N3S — CID 127037394

IUPAC5-(iodomethyl)-N-(6-methyl-2-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine;hydroiodide
SMILESCc1cccc(NC2=NCC(CI)S2)n1.I
InChIInChI=1S/C10H12IN3S.HI/c1-7-3-2-4-9(13-7)14-10-12-6-8(5-11)15-10;/h2-4,8H,5-6H2,1H3,(H,12,13,14);1H
InChIKeyYGJKAPGQIKUDKD-UHFFFAOYSA-N
MW461.11 g/mol
LogP3.33
Rot. Bonds2

About 5-(iodomethyl)-N-(6-methyl-2-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine;hydroiodide

5-(iodomethyl)-N-(6-methyl-2-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine;hydroiodide (PubChem CID 127037394) has the molecular formula C10H13I2N3S and a molecular weight of 461.11 g/mol. Its IUPAC name is 5-(iodomethyl)-N-(6-methyl-2-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine;hydroiodide.

Molecular Properties

Compound Name5-(iodomethyl)-N-(6-methyl-2-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine;hydroiodide
PubChem CID127037394
Molecular FormulaC10H13I2N3S
Molecular Weight461.11 g/mol
Exact Mass460.89
IUPAC Name5-(iodomethyl)-N-(6-methyl-2-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine;hydroiodide
SMILESCc1cccc(NC2=NCC(CI)S2)n1.I
InChIInChI=1S/C10H12IN3S.HI/c1-7-3-2-4-9(13-7)14-10-12-6-8(5-11)15-10;/h2-4,8H,5-6H2,1H3,(H,12,13,14);1H
InChIKeyYGJKAPGQIKUDKD-UHFFFAOYSA-N
XLogP3.33
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.11
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(iodomethyl)-N-(6-methyl-2-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine;hydroiodide?
The IUPAC name of 5-(iodomethyl)-N-(6-methyl-2-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine;hydroiodide (CID 127037394) is 5-(iodomethyl)-N-(6-methyl-2-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine;hydroiodide.
What is the SMILES notation for 5-(iodomethyl)-N-(6-methyl-2-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine;hydroiodide?
The canonical SMILES for 5-(iodomethyl)-N-(6-methyl-2-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine;hydroiodide is Cc1cccc(NC2=NCC(CI)S2)n1.I.
What is the InChIKey of 5-(iodomethyl)-N-(6-methyl-2-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine;hydroiodide?
The InChIKey is YGJKAPGQIKUDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN3S.HI/c1-7-3-2-4-9(13-7)14-10-12-6-8(5-11)15-10;/h2-4,8H,5-6H2,1H3,(H,12,13,14);1H.
What are the key properties of 5-(iodomethyl)-N-(6-methyl-2-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine;hydroiodide?
5-(iodomethyl)-N-(6-methyl-2-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine;hydroiodide has a molecular weight of 461.11 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(iodomethyl)-N-(6-methyl-2-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine;hydroiodide is sourced from PubChem (CID 127037394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).