N-(3-chloro-4-methylphenyl)-2-[(5R)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide

C18H15ClN2O3S — CID 135725478

IUPACN-(3-chloro-4-methylphenyl)-2-[(5R)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide
SMILESCc1ccc(NC(=O)C[C@H]2SC(c3ccc(O)cc3)=NC2=O)cc1Cl
InChIInChI=1S/C18H15ClN2O3S/c1-10-2-5-12(8-14(10)19)20-16(23)9-15-17(24)21-18(25-15)11-3-6-13(22)7-4-11/h2-8,15,22H,9H2,1H3,(H,20,23)/t15-/m1/s1
InChIKeyHNBJTLIRYBRIRE-OAHLLOKOSA-N
MW374.85 g/mol
LogP3.77
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-2-[(5R)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide

N-(3-chloro-4-methylphenyl)-2-[(5R)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide (PubChem CID 135725478) has the molecular formula C18H15ClN2O3S and a molecular weight of 374.85 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[(5R)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[(5R)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide
PubChem CID135725478
Molecular FormulaC18H15ClN2O3S
Molecular Weight374.85 g/mol
Exact Mass374.05
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[(5R)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide
SMILESCc1ccc(NC(=O)C[C@H]2SC(c3ccc(O)cc3)=NC2=O)cc1Cl
InChIInChI=1S/C18H15ClN2O3S/c1-10-2-5-12(8-14(10)19)20-16(23)9-15-17(24)21-18(25-15)11-3-6-13(22)7-4-11/h2-8,15,22H,9H2,1H3,(H,20,23)/t15-/m1/s1
InChIKeyHNBJTLIRYBRIRE-OAHLLOKOSA-N
XLogP3.77
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-[(5R)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide
CID 135725485
2-[(5R)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide
CID 135725449
N-(4-fluorophenyl)-2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide
CID 135725453
N-(3-chloro-4-methylphenyl)-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 42996535
2-[(5S)-2-[(3R)-3,5-bis(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3-chloro-4-methylphenyl)acetamide
CID 98270414
N-(2-fluorophenyl)-2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide
CID 135725459
2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-1-ylacetamide
CID 135725481
N-(3-chloro-4-methylphenyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 45354187
2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(4-hydroxyphenyl)acetamide
CID 7164202
N-(3-chloro-4-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 4116869
N-(3-chloro-4-methylphenyl)-2-[(5R)-2-[(3R)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 98190221
N-(3-chloro-4-methylphenyl)-2-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135473517

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[(5R)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[(5R)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide (CID 135725478) is N-(3-chloro-4-methylphenyl)-2-[(5R)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[(5R)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[(5R)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide is Cc1ccc(NC(=O)C[C@H]2SC(c3ccc(O)cc3)=NC2=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[(5R)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide?
The InChIKey is HNBJTLIRYBRIRE-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H15ClN2O3S/c1-10-2-5-12(8-14(10)19)20-16(23)9-15-17(24)21-18(25-15)11-3-6-13(22)7-4-11/h2-8,15,22H,9H2,1H3,(H,20,23)/t15-/m1/s1.
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[(5R)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide?
N-(3-chloro-4-methylphenyl)-2-[(5R)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide has a molecular weight of 374.85 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[(5R)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 135725478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).