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

C10H15ClN2OS — CID 43542464

IUPAC4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-3-methylmorpholine
SMILESCC1COCCN1Cc1nc(CCl)cs1
InChIInChI=1S/C10H15ClN2OS/c1-8-6-14-3-2-13(8)5-10-12-9(4-11)7-15-10/h7-8H,2-6H2,1H3
InChIKeyKGHXHDNNDVAEKA-UHFFFAOYSA-N
MW246.76 g/mol
LogP2.10
Rot. Bonds3

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

4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-3-methylmorpholine (PubChem CID 43542464) has the molecular formula C10H15ClN2OS and a molecular weight of 246.76 g/mol. Its IUPAC name is 4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-3-methylmorpholine.

Molecular Properties

Compound Name4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-3-methylmorpholine
PubChem CID43542464
Molecular FormulaC10H15ClN2OS
Molecular Weight246.76 g/mol
Exact Mass246.06
IUPAC Name4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-3-methylmorpholine
SMILESCC1COCCN1Cc1nc(CCl)cs1
InChIInChI=1S/C10H15ClN2OS/c1-8-6-14-3-2-13(8)5-10-12-9(4-11)7-15-10/h7-8H,2-6H2,1H3
InChIKeyKGHXHDNNDVAEKA-UHFFFAOYSA-N
XLogP2.10
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-3-methylmorpholine?
The IUPAC name of 4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-3-methylmorpholine (CID 43542464) is 4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-3-methylmorpholine.
What is the SMILES notation for 4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-3-methylmorpholine?
The canonical SMILES for 4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-3-methylmorpholine is CC1COCCN1Cc1nc(CCl)cs1.
What is the InChIKey of 4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-3-methylmorpholine?
The InChIKey is KGHXHDNNDVAEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2OS/c1-8-6-14-3-2-13(8)5-10-12-9(4-11)7-15-10/h7-8H,2-6H2,1H3.
What are the key properties of 4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-3-methylmorpholine?
4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-3-methylmorpholine has a molecular weight of 246.76 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-3-methylmorpholine is sourced from PubChem (CID 43542464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).