4-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-N-ethylmorpholine-3-carboxamide

C14H22ClN3O2S — CID 83104699

IUPAC4-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1CCCc1nc(CCl)cs1
InChIInChI=1S/C14H22ClN3O2S/c1-2-16-14(19)12-9-20-7-6-18(12)5-3-4-13-17-11(8-15)10-21-13/h10,12H,2-9H2,1H3,(H,16,19)
InChIKeyFKCUKAXCTSGQIM-UHFFFAOYSA-N
MW331.87 g/mol
LogP1.65
Rot. Bonds7

About 4-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-N-ethylmorpholine-3-carboxamide

4-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-N-ethylmorpholine-3-carboxamide (PubChem CID 83104699) has the molecular formula C14H22ClN3O2S and a molecular weight of 331.87 g/mol. Its IUPAC name is 4-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-N-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-N-ethylmorpholine-3-carboxamide
PubChem CID83104699
Molecular FormulaC14H22ClN3O2S
Molecular Weight331.87 g/mol
Exact Mass331.11
IUPAC Name4-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1CCCc1nc(CCl)cs1
InChIInChI=1S/C14H22ClN3O2S/c1-2-16-14(19)12-9-20-7-6-18(12)5-3-4-13-17-11(8-15)10-21-13/h10,12H,2-9H2,1H3,(H,16,19)
InChIKeyFKCUKAXCTSGQIM-UHFFFAOYSA-N
XLogP1.65
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]morpholine-3-carboxamide
CID 83096261
4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83103828
6-[3-(ethylcarbamoyl)morpholin-4-yl]hexanoic acid
CID 83100363
4-(5-amino-5-sulfanylidenepentyl)-N-ethylmorpholine-3-carboxamide
CID 83099476
4-[(2,6-dichloro-3-pyridinyl)methyl]-N-ethylmorpholine-3-carboxamide
CID 106993901
4-(3-amino-3-oxopropyl)-N-ethylmorpholine-3-carboxamide
CID 83103716
4-[4-[4-(chloromethyl)-1,3-thiazol-2-yl]butyl]-3-methylpiperazin-2-one
CID 63606669
N-ethyl-4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]morpholine-3-carboxamide
CID 83101761
4-(chloromethyl)-2-[4-(2-methylpyrrolidin-1-yl)butyl]-1,3-thiazole
CID 54966700
4-(chloromethyl)-2-[3-(4-propylpiperazin-1-yl)propyl]-1,3-thiazole
CID 43320470
N-ethyl-4-(3-hydrazinyl-3-oxopropyl)morpholine-3-carboxamide
CID 83104053
N-ethyl-4-(2-oxopropyl)morpholine-3-carboxamide
CID 83103810

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-N-ethylmorpholine-3-carboxamide?
The IUPAC name of 4-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-N-ethylmorpholine-3-carboxamide (CID 83104699) is 4-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-N-ethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-N-ethylmorpholine-3-carboxamide?
The canonical SMILES for 4-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-N-ethylmorpholine-3-carboxamide is CCNC(=O)C1COCCN1CCCc1nc(CCl)cs1.
What is the InChIKey of 4-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-N-ethylmorpholine-3-carboxamide?
The InChIKey is FKCUKAXCTSGQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2S/c1-2-16-14(19)12-9-20-7-6-18(12)5-3-4-13-17-11(8-15)10-21-13/h10,12H,2-9H2,1H3,(H,16,19).
What are the key properties of 4-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-N-ethylmorpholine-3-carboxamide?
4-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-N-ethylmorpholine-3-carboxamide has a molecular weight of 331.87 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-N-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 83104699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).