N-[1-(4-chlorophenyl)-2,2-dihydroxyethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide

C20H19ClN2O3S — CID 146248223

IUPACN-[1-(4-chlorophenyl)-2,2-dihydroxyethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(-c2nc(CC(=O)NC(c3ccc(Cl)cc3)C(O)O)cs2)cc1
InChIInChI=1S/C20H19ClN2O3S/c1-12-2-4-14(5-3-12)19-22-16(11-27-19)10-17(24)23-18(20(25)26)13-6-8-15(21)9-7-13/h2-9,11,18,20,25-26H,10H2,1H3,(H,23,24)
InChIKeyYCLKVJBWFPYBDT-UHFFFAOYSA-N
MW402.90 g/mol
LogP3.48
Rot. Bonds6

About N-[1-(4-chlorophenyl)-2,2-dihydroxyethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide

N-[1-(4-chlorophenyl)-2,2-dihydroxyethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 146248223) has the molecular formula C20H19ClN2O3S and a molecular weight of 402.90 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2,2-dihydroxyethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2,2-dihydroxyethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID146248223
Molecular FormulaC20H19ClN2O3S
Molecular Weight402.90 g/mol
Exact Mass402.08
IUPAC NameN-[1-(4-chlorophenyl)-2,2-dihydroxyethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(-c2nc(CC(=O)NC(c3ccc(Cl)cc3)C(O)O)cs2)cc1
InChIInChI=1S/C20H19ClN2O3S/c1-12-2-4-14(5-3-12)19-22-16(11-27-19)10-17(24)23-18(20(25)26)13-6-8-15(21)9-7-13/h2-9,11,18,20,25-26H,10H2,1H3,(H,23,24)
InChIKeyYCLKVJBWFPYBDT-UHFFFAOYSA-N
XLogP3.48
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 55395310
3-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 119220562
(2S)-2-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylbutanoic acid
CID 29131539
N-[1-(4-chlorophenyl)propyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 24600790
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methylpropyl)acetamide
CID 32978171
N-(4-chloro-2-fluorophenyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 8777429
N-(3-chlorophenyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 8777109
(2S)-2-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-propylpropanamide
CID 39965429
N-(2,4-dimethylphenyl)-2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetamide
CID 8714383
(3,5-dimethylphenyl) 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate
CID 18207023
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 18189786
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 55478764

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2,2-dihydroxyethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2,2-dihydroxyethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide (CID 146248223) is N-[1-(4-chlorophenyl)-2,2-dihydroxyethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2,2-dihydroxyethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2,2-dihydroxyethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide is Cc1ccc(-c2nc(CC(=O)NC(c3ccc(Cl)cc3)C(O)O)cs2)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2,2-dihydroxyethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is YCLKVJBWFPYBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3S/c1-12-2-4-14(5-3-12)19-22-16(11-27-19)10-17(24)23-18(20(25)26)13-6-8-15(21)9-7-13/h2-9,11,18,20,25-26H,10H2,1H3,(H,23,24).
What are the key properties of N-[1-(4-chlorophenyl)-2,2-dihydroxyethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide?
N-[1-(4-chlorophenyl)-2,2-dihydroxyethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 402.90 g/mol, XLogP of 3.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2,2-dihydroxyethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 146248223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).