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

C14H15ClN2OS — CID 3864051

IUPACN-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(N(C(C)=O)c2nc(CCl)cs2)cc1
InChIInChI=1S/C14H15ClN2OS/c1-3-11-4-6-13(7-5-11)17(10(2)18)14-16-12(8-15)9-19-14/h4-7,9H,3,8H2,1-2H3
InChIKeyBFIJWLYHPPGJQW-UHFFFAOYSA-N
MW294.81 g/mol
LogP4.13
Rot. Bonds4

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

N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide (PubChem CID 3864051) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
PubChem CID3864051
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC NameN-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(N(C(C)=O)c2nc(CCl)cs2)cc1
InChIInChI=1S/C14H15ClN2OS/c1-3-11-4-6-13(7-5-11)17(10(2)18)14-16-12(8-15)9-19-14/h4-7,9H,3,8H2,1-2H3
InChIKeyBFIJWLYHPPGJQW-UHFFFAOYSA-N
XLogP4.13
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide?
The IUPAC name of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide (CID 3864051) is N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide is CCc1ccc(N(C(C)=O)c2nc(CCl)cs2)cc1.
What is the InChIKey of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide?
The InChIKey is BFIJWLYHPPGJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-3-11-4-6-13(7-5-11)17(10(2)18)14-16-12(8-15)9-19-14/h4-7,9H,3,8H2,1-2H3.
What are the key properties of N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide?
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide has a molecular weight of 294.81 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 3864051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).