2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide

C10H11ClN4O2S — CID 114184685

IUPAC2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
SMILESCc1nc(CNC(=O)Cc2nc(CCl)cs2)no1
InChIInChI=1S/C10H11ClN4O2S/c1-6-13-8(15-17-6)4-12-9(16)2-10-14-7(3-11)5-18-10/h5H,2-4H2,1H3,(H,12,16)
InChIKeyLOTOEDPTOGKSPV-UHFFFAOYSA-N
MW286.74 g/mol
LogP1.43
Rot. Bonds5

About 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide

2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide (PubChem CID 114184685) has the molecular formula C10H11ClN4O2S and a molecular weight of 286.74 g/mol. Its IUPAC name is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
PubChem CID114184685
Molecular FormulaC10H11ClN4O2S
Molecular Weight286.74 g/mol
Exact Mass286.03
IUPAC Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
SMILESCc1nc(CNC(=O)Cc2nc(CCl)cs2)no1
InChIInChI=1S/C10H11ClN4O2S/c1-6-13-8(15-17-6)4-12-9(16)2-10-14-7(3-11)5-18-10/h5H,2-4H2,1H3,(H,12,16)
InChIKeyLOTOEDPTOGKSPV-UHFFFAOYSA-N
XLogP1.43
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 43320104
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]acetamide
CID 63308967
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methylacetamide
CID 16768117
2-(2-hydroxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 113238378
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 43320091
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-(3-ethylpentan-3-yl)acetamide
CID 65042316
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-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 79071061
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-cyclopropylacetamide
CID 16767849
N-(3-bromo-4-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide
CID 63334584

Frequently Asked Questions

What is the IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide (CID 114184685) is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide is Cc1nc(CNC(=O)Cc2nc(CCl)cs2)no1.
What is the InChIKey of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The InChIKey is LOTOEDPTOGKSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2S/c1-6-13-8(15-17-6)4-12-9(16)2-10-14-7(3-11)5-18-10/h5H,2-4H2,1H3,(H,12,16).
What are the key properties of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide has a molecular weight of 286.74 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide is sourced from PubChem (CID 114184685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).