[1-(2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamic acid

C13H13N3O4S — CID 137352458

IUPAC[1-(2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamic acid
SMILESCOc1ccccc1C(NC(=O)O)C(=O)Nc1nccs1
InChIInChI=1S/C13H13N3O4S/c1-20-9-5-3-2-4-8(9)10(15-13(18)19)11(17)16-12-14-6-7-21-12/h2-7,10,15H,1H3,(H,18,19)(H,14,16,17)
InChIKeyOIJXUURGZQGOIT-UHFFFAOYSA-N
MW307.33 g/mol
LogP2.10
Rot. Bonds5

About [1-(2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamic acid

[1-(2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamic acid (PubChem CID 137352458) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is [1-(2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamic acid.

Molecular Properties

Compound Name[1-(2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamic acid
PubChem CID137352458
Molecular FormulaC13H13N3O4S
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Name[1-(2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamic acid
SMILESCOc1ccccc1C(NC(=O)O)C(=O)Nc1nccs1
InChIInChI=1S/C13H13N3O4S/c1-20-9-5-3-2-4-8(9)10(15-13(18)19)11(17)16-12-14-6-7-21-12/h2-7,10,15H,1H3,(H,18,19)(H,14,16,17)
InChIKeyOIJXUURGZQGOIT-UHFFFAOYSA-N
XLogP2.10
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1R)-1-(2-methoxyphenyl)propyl]-3-(1,3-thiazol-2-yl)urea
CID 51944210
2-methoxy-N-[(2R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
CID 41259077
(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 921733
N-[(2-methoxyphenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 2926552
1-(2,6-dimethoxyphenyl)-3-(1,3-thiazol-2-yl)urea
CID 108867903
(2S)-2-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 97038201
2-phenoxy-N-(1,3-thiazol-2-yl)propanamide
CID 4279674
2-(2-methoxyphenyl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 110439598
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 40932948
[(1S)-2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl] acetate
CID 763099
2-[(2-methoxybenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361063
(2R)-2-(2-ethoxyanilino)-N-(1,3-thiazol-2-yl)propanamide
CID 7450130

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamic acid?
The IUPAC name of [1-(2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamic acid (CID 137352458) is [1-(2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamic acid.
What is the SMILES notation for [1-(2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamic acid?
The canonical SMILES for [1-(2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamic acid is COc1ccccc1C(NC(=O)O)C(=O)Nc1nccs1.
What is the InChIKey of [1-(2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamic acid?
The InChIKey is OIJXUURGZQGOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S/c1-20-9-5-3-2-4-8(9)10(15-13(18)19)11(17)16-12-14-6-7-21-12/h2-7,10,15H,1H3,(H,18,19)(H,14,16,17).
What are the key properties of [1-(2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamic acid?
[1-(2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamic acid has a molecular weight of 307.33 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamic acid is sourced from PubChem (CID 137352458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).