2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide

C23H25ClN2OS — CID 3292314

IUPAC2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
SMILESCCCCCCc1ccc(-c2csc(NC(=O)C(Cl)c3ccccc3)n2)cc1
InChIInChI=1S/C23H25ClN2OS/c1-2-3-4-6-9-17-12-14-18(15-13-17)20-16-28-23(25-20)26-22(27)21(24)19-10-7-5-8-11-19/h5,7-8,10-16,21H,2-4,6,9H2,1H3,(H,25,26,27)
InChIKeyBLTHWYCSCHELLA-UHFFFAOYSA-N
MW412.99 g/mol
LogP6.85
Rot. Bonds9

About 2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide

2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide (PubChem CID 3292314) has the molecular formula C23H25ClN2OS and a molecular weight of 412.99 g/mol. Its IUPAC name is 2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
PubChem CID3292314
Molecular FormulaC23H25ClN2OS
Molecular Weight412.99 g/mol
Exact Mass412.14
IUPAC Name2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
SMILESCCCCCCc1ccc(-c2csc(NC(=O)C(Cl)c3ccccc3)n2)cc1
InChIInChI=1S/C23H25ClN2OS/c1-2-3-4-6-9-17-12-14-18(15-13-17)20-16-28-23(25-20)26-22(27)21(24)19-10-7-5-8-11-19/h5,7-8,10-16,21H,2-4,6,9H2,1H3,(H,25,26,27)
InChIKeyBLTHWYCSCHELLA-UHFFFAOYSA-N
XLogP6.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.99
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(2R)-2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]propanamide
CID 2369609
2,2-dichloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4072325
(2R)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 40538784
3-[2-[[4-(4-hexylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 16539161
2-ethyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]hexanamide
CID 3619890
(2S)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 1291176
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]hexanamide
CID 55382237
(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide
CID 139370957
2-amino-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 139386677
2-(4-chlorophenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide
CID 4025035
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]decanamide
CID 4302943
N-[(2R)-4-[4-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 8750342

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide?
The IUPAC name of 2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide (CID 3292314) is 2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide is CCCCCCc1ccc(-c2csc(NC(=O)C(Cl)c3ccccc3)n2)cc1.
What is the InChIKey of 2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide?
The InChIKey is BLTHWYCSCHELLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2OS/c1-2-3-4-6-9-17-12-14-18(15-13-17)20-16-28-23(25-20)26-22(27)21(24)19-10-7-5-8-11-19/h5,7-8,10-16,21H,2-4,6,9H2,1H3,(H,25,26,27).
What are the key properties of 2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide?
2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide has a molecular weight of 412.99 g/mol, XLogP of 6.85, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide is sourced from PubChem (CID 3292314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).