2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-thiomorpholin-4-ylethyl)acetamide

C12H18ClN3OS2 — CID 106326607

IUPAC2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-thiomorpholin-4-ylethyl)acetamide
SMILESO=C(Cc1nc(CCl)cs1)NCCN1CCSCC1
InChIInChI=1S/C12H18ClN3OS2/c13-8-10-9-19-12(15-10)7-11(17)14-1-2-16-3-5-18-6-4-16/h9H,1-8H2,(H,14,17)
InChIKeyAGEVMDZFZHXEBQ-UHFFFAOYSA-N
MW319.88 g/mol
LogP1.59
Rot. Bonds6

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

2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-thiomorpholin-4-ylethyl)acetamide (PubChem CID 106326607) has the molecular formula C12H18ClN3OS2 and a molecular weight of 319.88 g/mol. Its IUPAC name is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-thiomorpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-thiomorpholin-4-ylethyl)acetamide
PubChem CID106326607
Molecular FormulaC12H18ClN3OS2
Molecular Weight319.88 g/mol
Exact Mass319.06
IUPAC Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-thiomorpholin-4-ylethyl)acetamide
SMILESO=C(Cc1nc(CCl)cs1)NCCN1CCSCC1
InChIInChI=1S/C12H18ClN3OS2/c13-8-10-9-19-12(15-10)7-11(17)14-1-2-16-3-5-18-6-4-16/h9H,1-8H2,(H,14,17)
InChIKeyAGEVMDZFZHXEBQ-UHFFFAOYSA-N
XLogP1.59
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.88
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-thiomorpholin-4-ylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-(2-thiomorpholin-4-ylethyl)acetamide
CID 106325273
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[2-(4-methylpyrazol-1-yl)ethyl]acetamide
CID 114131593
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106106049
4-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]thiomorpholine
CID 43138391
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 80688622
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methylacetamide
CID 16768117
2-(4-sulfanylphenyl)-N-(2-thiomorpholin-4-ylethyl)acetamide
CID 106327305
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclopropylacetamide
CID 16767849
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylbutyl)acetamide
CID 82547503
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 79071061
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 63294452
2-(5-amino-2-pyridinyl)-N-(2-thiomorpholin-4-ylethyl)acetamide;dihydrochloride
CID 120643105

Frequently Asked Questions

What is the IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-thiomorpholin-4-ylethyl)acetamide?
The IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-thiomorpholin-4-ylethyl)acetamide (CID 106326607) is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-thiomorpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-thiomorpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-thiomorpholin-4-ylethyl)acetamide is O=C(Cc1nc(CCl)cs1)NCCN1CCSCC1.
What is the InChIKey of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-thiomorpholin-4-ylethyl)acetamide?
The InChIKey is AGEVMDZFZHXEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3OS2/c13-8-10-9-19-12(15-10)7-11(17)14-1-2-16-3-5-18-6-4-16/h9H,1-8H2,(H,14,17).
What are the key properties of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-thiomorpholin-4-ylethyl)acetamide?
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-thiomorpholin-4-ylethyl)acetamide has a molecular weight of 319.88 g/mol, XLogP of 1.59, 6 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-(2-thiomorpholin-4-ylethyl)acetamide is sourced from PubChem (CID 106326607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).