4-(chloromethyl)-N-ethyl-N-(2-methylpropyl)-1,3-thiazol-2-amine

C10H17ClN2S — CID 43532090

IUPAC4-(chloromethyl)-N-ethyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCCN(CC(C)C)c1nc(CCl)cs1
InChIInChI=1S/C10H17ClN2S/c1-4-13(6-8(2)3)10-12-9(5-11)7-14-10/h7-8H,4-6H2,1-3H3
InChIKeyIONHGOUTESIBHC-UHFFFAOYSA-N
MW232.78 g/mol
LogP3.36
Rot. Bonds5

About 4-(chloromethyl)-N-ethyl-N-(2-methylpropyl)-1,3-thiazol-2-amine

4-(chloromethyl)-N-ethyl-N-(2-methylpropyl)-1,3-thiazol-2-amine (PubChem CID 43532090) has the molecular formula C10H17ClN2S and a molecular weight of 232.78 g/mol. Its IUPAC name is 4-(chloromethyl)-N-ethyl-N-(2-methylpropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-ethyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
PubChem CID43532090
Molecular FormulaC10H17ClN2S
Molecular Weight232.78 g/mol
Exact Mass232.08
IUPAC Name4-(chloromethyl)-N-ethyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCCN(CC(C)C)c1nc(CCl)cs1
InChIInChI=1S/C10H17ClN2S/c1-4-13(6-8(2)3)10-12-9(5-11)7-14-10/h7-8H,4-6H2,1-3H3
InChIKeyIONHGOUTESIBHC-UHFFFAOYSA-N
XLogP3.36
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.78
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-ethyl-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(chloromethyl)-N-ethyl-N-(2-methylpropyl)-1,3-thiazol-2-amine (CID 43532090) is 4-(chloromethyl)-N-ethyl-N-(2-methylpropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(chloromethyl)-N-ethyl-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(chloromethyl)-N-ethyl-N-(2-methylpropyl)-1,3-thiazol-2-amine is CCN(CC(C)C)c1nc(CCl)cs1.
What is the InChIKey of 4-(chloromethyl)-N-ethyl-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The InChIKey is IONHGOUTESIBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2S/c1-4-13(6-8(2)3)10-12-9(5-11)7-14-10/h7-8H,4-6H2,1-3H3.
What are the key properties of 4-(chloromethyl)-N-ethyl-N-(2-methylpropyl)-1,3-thiazol-2-amine?
4-(chloromethyl)-N-ethyl-N-(2-methylpropyl)-1,3-thiazol-2-amine has a molecular weight of 232.78 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-ethyl-N-(2-methylpropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 43532090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).