N,N-diethyl-5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-amine

C8H15IN2S — CID 17344308

IUPACN,N-diethyl-5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCN(CC)C1=NCC(CI)S1
InChIInChI=1S/C8H15IN2S/c1-3-11(4-2)8-10-6-7(5-9)12-8/h7H,3-6H2,1-2H3
InChIKeyKECJXJZUIDEITD-UHFFFAOYSA-N
MW298.19 g/mol
LogP2.23
Rot. Bonds3

About N,N-diethyl-5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-amine

N,N-diethyl-5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 17344308) has the molecular formula C8H15IN2S and a molecular weight of 298.19 g/mol. Its IUPAC name is N,N-diethyl-5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID17344308
Molecular FormulaC8H15IN2S
Molecular Weight298.19 g/mol
Exact Mass298.00
IUPAC NameN,N-diethyl-5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCN(CC)C1=NCC(CI)S1
InChIInChI=1S/C8H15IN2S/c1-3-11(4-2)8-10-6-7(5-9)12-8/h7H,3-6H2,1-2H3
InChIKeyKECJXJZUIDEITD-UHFFFAOYSA-N
XLogP2.23
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N,N-diethyl-5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N,N-diethyl-5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 17344308) is N,N-diethyl-5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-diethyl-5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N,N-diethyl-5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-amine is CCN(CC)C1=NCC(CI)S1.
What is the InChIKey of N,N-diethyl-5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is KECJXJZUIDEITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15IN2S/c1-3-11(4-2)8-10-6-7(5-9)12-8/h7H,3-6H2,1-2H3.
What are the key properties of N,N-diethyl-5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-amine?
N,N-diethyl-5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 298.19 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 17344308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).