N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-chloroacetamide

C15H17ClN2O2S — CID 19194823

IUPACN-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-chloroacetamide
SMILESCCCCOc1ccc(-c2csc(NC(=O)CCl)n2)cc1
InChIInChI=1S/C15H17ClN2O2S/c1-2-3-8-20-12-6-4-11(5-7-12)13-10-21-15(17-13)18-14(19)9-16/h4-7,10H,2-3,8-9H2,1H3,(H,17,18,19)
InChIKeyFAEGLAWOSBUPEH-UHFFFAOYSA-N
MW324.83 g/mol
LogP4.17
Rot. Bonds7

About N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-chloroacetamide

N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-chloroacetamide (PubChem CID 19194823) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-chloroacetamide
PubChem CID19194823
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC NameN-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-chloroacetamide
SMILESCCCCOc1ccc(-c2csc(NC(=O)CCl)n2)cc1
InChIInChI=1S/C15H17ClN2O2S/c1-2-3-8-20-12-6-4-11(5-7-12)13-10-21-15(17-13)18-14(19)9-16/h4-7,10H,2-3,8-9H2,1H3,(H,17,18,19)
InChIKeyFAEGLAWOSBUPEH-UHFFFAOYSA-N
XLogP4.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide
CID 19197421
4-(4-chlorophenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19184059
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-(2-chlorophenoxy)acetamide
CID 19196624
N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propylphenoxy)butanamide
CID 19191455
2-phenyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 3414920
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide
CID 19173206
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide
CID 19224461
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 19197481
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19196934
2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1133114
4-butoxy-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3302590
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 19197319

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-chloroacetamide?
The IUPAC name of N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-chloroacetamide (CID 19194823) is N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-chloroacetamide.
What is the SMILES notation for N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-chloroacetamide?
The canonical SMILES for N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-chloroacetamide is CCCCOc1ccc(-c2csc(NC(=O)CCl)n2)cc1.
What is the InChIKey of N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-chloroacetamide?
The InChIKey is FAEGLAWOSBUPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-2-3-8-20-12-6-4-11(5-7-12)13-10-21-15(17-13)18-14(19)9-16/h4-7,10H,2-3,8-9H2,1H3,(H,17,18,19).
What are the key properties of N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-chloroacetamide?
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-chloroacetamide has a molecular weight of 324.83 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-chloroacetamide is sourced from PubChem (CID 19194823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).