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

C12H18ClN3O2S — CID 79071061

IUPAC2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(4-methylmorpholin-2-yl)methyl]acetamide
SMILESCN1CCOC(CNC(=O)Cc2nc(CCl)cs2)C1
InChIInChI=1S/C12H18ClN3O2S/c1-16-2-3-18-10(7-16)6-14-11(17)4-12-15-9(5-13)8-19-12/h8,10H,2-7H2,1H3,(H,14,17)
InChIKeyWVSCTKLMXRUXKQ-UHFFFAOYSA-N
MW303.82 g/mol
LogP0.87
Rot. Bonds5

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

2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(4-methylmorpholin-2-yl)methyl]acetamide (PubChem CID 79071061) has the molecular formula C12H18ClN3O2S and a molecular weight of 303.82 g/mol. Its IUPAC name is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(4-methylmorpholin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(4-methylmorpholin-2-yl)methyl]acetamide
PubChem CID79071061
Molecular FormulaC12H18ClN3O2S
Molecular Weight303.82 g/mol
Exact Mass303.08
IUPAC Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(4-methylmorpholin-2-yl)methyl]acetamide
SMILESCN1CCOC(CNC(=O)Cc2nc(CCl)cs2)C1
InChIInChI=1S/C12H18ClN3O2S/c1-16-2-3-18-10(7-16)6-14-11(17)4-12-15-9(5-13)8-19-12/h8,10H,2-7H2,1H3,(H,14,17)
InChIKeyWVSCTKLMXRUXKQ-UHFFFAOYSA-N
XLogP0.87
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 50.87
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

N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 110710224
2-(2-chlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 49093905
N-[(4-methylmorpholin-2-yl)methyl]-2-naphthalen-2-ylacetamide
CID 49094018
N-[(4-methylmorpholin-2-yl)methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 49093763
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 95271990
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-thiomorpholin-4-ylethyl)acetamide
CID 106326607
N-[(4-methylmorpholin-2-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110710235
4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094780
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 114184685
2-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]propanamide
CID 153398973
3-(chloromethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 79082923
6-chloro-N-[(4-methylmorpholin-2-yl)methyl]pyridazine-3-carboxamide
CID 79083051

Frequently Asked Questions

What is the IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(4-methylmorpholin-2-yl)methyl]acetamide?
The IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(4-methylmorpholin-2-yl)methyl]acetamide (CID 79071061) is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(4-methylmorpholin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(4-methylmorpholin-2-yl)methyl]acetamide?
The canonical SMILES for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(4-methylmorpholin-2-yl)methyl]acetamide is CN1CCOC(CNC(=O)Cc2nc(CCl)cs2)C1.
What is the InChIKey of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(4-methylmorpholin-2-yl)methyl]acetamide?
The InChIKey is WVSCTKLMXRUXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2S/c1-16-2-3-18-10(7-16)6-14-11(17)4-12-15-9(5-13)8-19-12/h8,10H,2-7H2,1H3,(H,14,17).
What are the key properties of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(4-methylmorpholin-2-yl)methyl]acetamide?
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(4-methylmorpholin-2-yl)methyl]acetamide has a molecular weight of 303.82 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(4-methylmorpholin-2-yl)methyl]acetamide is sourced from PubChem (CID 79071061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).