2-[(5S)-2-(dimethylamino)-4-oxo-1,3-thiazol-5-yl]-N-(2-methoxyphenyl)acetamide

C14H17N3O3S — CID 35921740

IUPAC2-[(5S)-2-(dimethylamino)-4-oxo-1,3-thiazol-5-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)C[C@@H]1SC(N(C)C)=NC1=O
InChIInChI=1S/C14H17N3O3S/c1-17(2)14-16-13(19)11(21-14)8-12(18)15-9-6-4-5-7-10(9)20-3/h4-7,11H,8H2,1-3H3,(H,15,18)/t11-/m0/s1
InChIKeyHMEUKDVXUQJWQO-NSHDSACASA-N
MW307.38 g/mol
LogP1.58
Rot. Bonds4

About 2-[(5S)-2-(dimethylamino)-4-oxo-1,3-thiazol-5-yl]-N-(2-methoxyphenyl)acetamide

2-[(5S)-2-(dimethylamino)-4-oxo-1,3-thiazol-5-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 35921740) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-[(5S)-2-(dimethylamino)-4-oxo-1,3-thiazol-5-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(5S)-2-(dimethylamino)-4-oxo-1,3-thiazol-5-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID35921740
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-[(5S)-2-(dimethylamino)-4-oxo-1,3-thiazol-5-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)C[C@@H]1SC(N(C)C)=NC1=O
InChIInChI=1S/C14H17N3O3S/c1-17(2)14-16-13(19)11(21-14)8-12(18)15-9-6-4-5-7-10(9)20-3/h4-7,11H,8H2,1-3H3,(H,15,18)/t11-/m0/s1
InChIKeyHMEUKDVXUQJWQO-NSHDSACASA-N
XLogP1.58
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 8969066
N-(2,4-dimethylphenyl)-2-[2-[2-(2-methoxyanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 18774859
N-(2-methoxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
CID 25220287
N-(2-chlorophenyl)-2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetamide
CID 17420291
2-[(5R)-2-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(2-methoxyphenyl)acetamide
CID 28664343
N-(2-methoxyphenyl)-2-[(5R)-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691840
N-(2-methoxyphenyl)-2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide
CID 53264873
2-(6-bromo-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-methoxyphenyl)acetamide
CID 23905261
2-[(5R)-2-[2-(diethylamino)ethylimino]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 135692132
N-(2-methoxyphenyl)-2-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
CID 18892036
2-[(5S)-3-(4-fluorophenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 42426615
2-[(5S)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 135691940

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2-(dimethylamino)-4-oxo-1,3-thiazol-5-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[(5S)-2-(dimethylamino)-4-oxo-1,3-thiazol-5-yl]-N-(2-methoxyphenyl)acetamide (CID 35921740) is 2-[(5S)-2-(dimethylamino)-4-oxo-1,3-thiazol-5-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(5S)-2-(dimethylamino)-4-oxo-1,3-thiazol-5-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(5S)-2-(dimethylamino)-4-oxo-1,3-thiazol-5-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)C[C@@H]1SC(N(C)C)=NC1=O.
What is the InChIKey of 2-[(5S)-2-(dimethylamino)-4-oxo-1,3-thiazol-5-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is HMEUKDVXUQJWQO-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-17(2)14-16-13(19)11(21-14)8-12(18)15-9-6-4-5-7-10(9)20-3/h4-7,11H,8H2,1-3H3,(H,15,18)/t11-/m0/s1.
What are the key properties of 2-[(5S)-2-(dimethylamino)-4-oxo-1,3-thiazol-5-yl]-N-(2-methoxyphenyl)acetamide?
2-[(5S)-2-(dimethylamino)-4-oxo-1,3-thiazol-5-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 307.38 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-2-(dimethylamino)-4-oxo-1,3-thiazol-5-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 35921740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).