4-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]thiomorpholine

C11H17ClN2S2 — CID 43138391

IUPAC4-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]thiomorpholine
SMILESClCc1csc(CCCN2CCSCC2)n1
InChIInChI=1S/C11H17ClN2S2/c12-8-10-9-16-11(13-10)2-1-3-14-4-6-15-7-5-14/h9H,1-8H2
InChIKeyGFGQCEQLYCCMLE-UHFFFAOYSA-N
MW276.86 g/mol
LogP2.86
Rot. Bonds5

About 4-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]thiomorpholine

4-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]thiomorpholine (PubChem CID 43138391) has the molecular formula C11H17ClN2S2 and a molecular weight of 276.86 g/mol. Its IUPAC name is 4-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]thiomorpholine.

Molecular Properties

Compound Name4-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]thiomorpholine
PubChem CID43138391
Molecular FormulaC11H17ClN2S2
Molecular Weight276.86 g/mol
Exact Mass276.05
IUPAC Name4-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]thiomorpholine
SMILESClCc1csc(CCCN2CCSCC2)n1
InChIInChI=1S/C11H17ClN2S2/c12-8-10-9-16-11(13-10)2-1-3-14-4-6-15-7-5-14/h9H,1-8H2
InChIKeyGFGQCEQLYCCMLE-UHFFFAOYSA-N
XLogP2.86
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.86
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(azocan-1-yl)propyl]-4-(chloromethyl)-1,3-thiazole
CID 43320490
4-(chloromethyl)-2-[3-(4-propylpiperazin-1-yl)propyl]-1,3-thiazole
CID 43320470
4-(chloromethyl)-2-[3-(4,4-diethylpiperidin-1-yl)propyl]-1,3-thiazole
CID 63159007
4-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]butyl]-7,7-dimethyl-1,4-thiazepane
CID 107457594
2-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propyl]-4-(chloromethyl)-1,3-thiazole
CID 113336000
2-[4-(4-butan-2-ylpiperazin-1-yl)butyl]-4-(chloromethyl)-1,3-thiazole
CID 62774435
2-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]-4-(chloromethyl)-1,3-thiazole
CID 79943191
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-thiomorpholin-4-ylethyl)acetamide
CID 106326607
2-[2-(4-tert-butylpiperazin-1-yl)ethyl]-4-(chloromethyl)-1,3-thiazole
CID 61433252
(2S,6R)-4-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]butyl]-2,6-dimethylmorpholine
CID 104959751
[1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]piperidin-4-yl]methanol
CID 43138386
4-(chloromethyl)-2-[4-(2-methylpyrrolidin-1-yl)butyl]-1,3-thiazole
CID 54966700

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]thiomorpholine?
The IUPAC name of 4-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]thiomorpholine (CID 43138391) is 4-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]thiomorpholine.
What is the SMILES notation for 4-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]thiomorpholine?
The canonical SMILES for 4-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]thiomorpholine is ClCc1csc(CCCN2CCSCC2)n1.
What is the InChIKey of 4-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]thiomorpholine?
The InChIKey is GFGQCEQLYCCMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S2/c12-8-10-9-16-11(13-10)2-1-3-14-4-6-15-7-5-14/h9H,1-8H2.
What are the key properties of 4-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]thiomorpholine?
4-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]thiomorpholine has a molecular weight of 276.86 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]thiomorpholine is sourced from PubChem (CID 43138391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).