2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide

C12H15ClN4OS — CID 106106049

IUPAC2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
SMILESCn1ccc(CCNC(=O)Cc2nc(CCl)cs2)n1
InChIInChI=1S/C12H15ClN4OS/c1-17-5-3-9(16-17)2-4-14-11(18)6-12-15-10(7-13)8-19-12/h3,5,8H,2,4,6-7H2,1H3,(H,14,18)
InChIKeyIUJDYAMPDMYERS-UHFFFAOYSA-N
MW298.80 g/mol
LogP1.52
Rot. Bonds6

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

2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide (PubChem CID 106106049) has the molecular formula C12H15ClN4OS and a molecular weight of 298.80 g/mol. Its IUPAC name is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
PubChem CID106106049
Molecular FormulaC12H15ClN4OS
Molecular Weight298.80 g/mol
Exact Mass298.07
IUPAC Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
SMILESCn1ccc(CCNC(=O)Cc2nc(CCl)cs2)n1
InChIInChI=1S/C12H15ClN4OS/c1-17-5-3-9(16-17)2-4-14-11(18)6-12-15-10(7-13)8-19-12/h3,5,8H,2,4,6-7H2,1H3,(H,14,18)
InChIKeyIUJDYAMPDMYERS-UHFFFAOYSA-N
XLogP1.52
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.80
LogP ≤ 51.52
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-(1-methylpyrazol-3-yl)ethyl]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-[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-(2-thiomorpholin-4-ylethyl)acetamide
CID 106326607
2-[4-(aminomethyl)phenyl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106103870
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-[(1-methylimidazol-2-yl)methyl]acetamide
CID 63294452
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methylacetamide
CID 16768117
2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 106106169
4-amino-4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pentanamide
CID 114143984
2-(2-methoxyethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106105035
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 43320104
2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]propanamide
CID 106104407
5-[2-(1-methylpyrazol-3-yl)ethylamino]-5-oxopentanoic acid
CID 104630849

Frequently Asked Questions

What is the IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide (CID 106106049) is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide is Cn1ccc(CCNC(=O)Cc2nc(CCl)cs2)n1.
What is the InChIKey of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide?
The InChIKey is IUJDYAMPDMYERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4OS/c1-17-5-3-9(16-17)2-4-14-11(18)6-12-15-10(7-13)8-19-12/h3,5,8H,2,4,6-7H2,1H3,(H,14,18).
What are the key properties of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide?
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide has a molecular weight of 298.80 g/mol, XLogP of 1.52, 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-(1-methylpyrazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 106106049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).