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

C17H20ClN3O3S — CID 30097464

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C[C@H]1SC(N2CCCC2)=NC1=O
InChIInChI=1S/C17H20ClN3O3S/c1-10-7-12(13(24-2)8-11(10)18)19-15(22)9-14-16(23)20-17(25-14)21-5-3-4-6-21/h7-8,14H,3-6,9H2,1-2H3,(H,19,22)/t14-/m1/s1
InChIKeyMVYKSZCAZHJOQV-CQSZACIVSA-N
MW381.89 g/mol
LogP3.08
Rot. Bonds4

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

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide (PubChem CID 30097464) has the molecular formula C17H20ClN3O3S and a molecular weight of 381.89 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide
PubChem CID30097464
Molecular FormulaC17H20ClN3O3S
Molecular Weight381.89 g/mol
Exact Mass381.09
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C[C@H]1SC(N2CCCC2)=NC1=O
InChIInChI=1S/C17H20ClN3O3S/c1-10-7-12(13(24-2)8-11(10)18)19-15(22)9-14-16(23)20-17(25-14)21-5-3-4-6-21/h7-8,14H,3-6,9H2,1-2H3,(H,19,22)/t14-/m1/s1
InChIKeyMVYKSZCAZHJOQV-CQSZACIVSA-N
XLogP3.08
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 42996537
N-(2-methoxyphenyl)-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 8969066
N-(3-chloro-4-methylphenyl)-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 42996535
N-(3-chloro-2-methylphenyl)-2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 30097416
N-(3-chloro-2-methylphenyl)-2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 30097413
N-(2-methoxy-5-nitrophenyl)-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 7529178
N-(3-chloro-4-methylphenyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 45354187
N-(2,5-dimethoxyphenyl)-2-[(5R)-2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl]acetamide
CID 9005741
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-4-oxo-2-(phenoxymethyl)-1,3-thiazol-5-yl]acetamide
CID 9419604
N-(2,5-dimethoxyphenyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 55378431
N-(4-methyl-2-nitrophenyl)-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 17438036
N-(3-chloro-4-fluorophenyl)-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 2109477

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide (CID 30097464) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide is COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1SC(N2CCCC2)=NC1=O.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide?
The InChIKey is MVYKSZCAZHJOQV-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20ClN3O3S/c1-10-7-12(13(24-2)8-11(10)18)19-15(22)9-14-16(23)20-17(25-14)21-5-3-4-6-21/h7-8,14H,3-6,9H2,1-2H3,(H,19,22)/t14-/m1/s1.
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide has a molecular weight of 381.89 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 30097464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).