N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methylethanamine

C8H13ClN2S — CID 43263634

IUPACN-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methylethanamine
SMILESCCN(C)Cc1nc(CCl)cs1
InChIInChI=1S/C8H13ClN2S/c1-3-11(2)5-8-10-7(4-9)6-12-8/h6H,3-5H2,1-2H3
InChIKeyWRYZXCJUISKBKA-UHFFFAOYSA-N
MW204.73 g/mol
LogP2.33
Rot. Bonds4

About N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methylethanamine

N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methylethanamine (PubChem CID 43263634) has the molecular formula C8H13ClN2S and a molecular weight of 204.73 g/mol. Its IUPAC name is N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methylethanamine.

Molecular Properties

Compound NameN-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methylethanamine
PubChem CID43263634
Molecular FormulaC8H13ClN2S
Molecular Weight204.73 g/mol
Exact Mass204.05
IUPAC NameN-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methylethanamine
SMILESCCN(C)Cc1nc(CCl)cs1
InChIInChI=1S/C8H13ClN2S/c1-3-11(2)5-8-10-7(4-9)6-12-8/h6H,3-5H2,1-2H3
InChIKeyWRYZXCJUISKBKA-UHFFFAOYSA-N
XLogP2.33
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.73
LogP ≤ 52.33
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 N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methylethanamine?
The IUPAC name of N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methylethanamine (CID 43263634) is N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methylethanamine.
What is the SMILES notation for N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methylethanamine?
The canonical SMILES for N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methylethanamine is CCN(C)Cc1nc(CCl)cs1.
What is the InChIKey of N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methylethanamine?
The InChIKey is WRYZXCJUISKBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2S/c1-3-11(2)5-8-10-7(4-9)6-12-8/h6H,3-5H2,1-2H3.
What are the key properties of N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methylethanamine?
N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methylethanamine has a molecular weight of 204.73 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methylethanamine is sourced from PubChem (CID 43263634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).