N-[4-(chloromethyl)-1,3-thiazol-2-yl]-5-ethylfuran-2-carboxamide

C11H11ClN2O2S — CID 79094737

IUPACN-[4-(chloromethyl)-1,3-thiazol-2-yl]-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2nc(CCl)cs2)o1
InChIInChI=1S/C11H11ClN2O2S/c1-2-8-3-4-9(16-8)10(15)14-11-13-7(5-12)6-17-11/h3-4,6H,2,5H2,1H3,(H,13,14,15)
InChIKeyDIULPQOYKSRESN-UHFFFAOYSA-N
MW270.74 g/mol
LogP3.29
Rot. Bonds4

About N-[4-(chloromethyl)-1,3-thiazol-2-yl]-5-ethylfuran-2-carboxamide

N-[4-(chloromethyl)-1,3-thiazol-2-yl]-5-ethylfuran-2-carboxamide (PubChem CID 79094737) has the molecular formula C11H11ClN2O2S and a molecular weight of 270.74 g/mol. Its IUPAC name is N-[4-(chloromethyl)-1,3-thiazol-2-yl]-5-ethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)-1,3-thiazol-2-yl]-5-ethylfuran-2-carboxamide
PubChem CID79094737
Molecular FormulaC11H11ClN2O2S
Molecular Weight270.74 g/mol
Exact Mass270.02
IUPAC NameN-[4-(chloromethyl)-1,3-thiazol-2-yl]-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2nc(CCl)cs2)o1
InChIInChI=1S/C11H11ClN2O2S/c1-2-8-3-4-9(16-8)10(15)14-11-13-7(5-12)6-17-11/h3-4,6H,2,5H2,1H3,(H,13,14,15)
InChIKeyDIULPQOYKSRESN-UHFFFAOYSA-N
XLogP3.29
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 79095459
N-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide
CID 10398016
N-(4-ethyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 87065618
N-[4-(chloromethyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
CID 65215041
ethyl 2-[2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 21046463
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2,2-dimethylbutanamide
CID 62679182
3-chloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-methylbenzamide
CID 107097418
2-bromo-N-[4-(chloromethyl)-1,3-thiazol-2-yl]butanamide
CID 108745941
5-ethyl-N-methylfuran-2-carboxamide
CID 60751451
2,2,2-trichloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide
CID 108745925
ethyl 2-[2-[[5-[(2,5-dimethoxyphenyl)methyl]furan-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 21046465
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 43140266

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-5-ethylfuran-2-carboxamide?
The IUPAC name of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-5-ethylfuran-2-carboxamide (CID 79094737) is N-[4-(chloromethyl)-1,3-thiazol-2-yl]-5-ethylfuran-2-carboxamide.
What is the SMILES notation for N-[4-(chloromethyl)-1,3-thiazol-2-yl]-5-ethylfuran-2-carboxamide?
The canonical SMILES for N-[4-(chloromethyl)-1,3-thiazol-2-yl]-5-ethylfuran-2-carboxamide is CCc1ccc(C(=O)Nc2nc(CCl)cs2)o1.
What is the InChIKey of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-5-ethylfuran-2-carboxamide?
The InChIKey is DIULPQOYKSRESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2S/c1-2-8-3-4-9(16-8)10(15)14-11-13-7(5-12)6-17-11/h3-4,6H,2,5H2,1H3,(H,13,14,15).
What are the key properties of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-5-ethylfuran-2-carboxamide?
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-5-ethylfuran-2-carboxamide has a molecular weight of 270.74 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chloromethyl)-1,3-thiazol-2-yl]-5-ethylfuran-2-carboxamide is sourced from PubChem (CID 79094737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).