3-(2-methoxyphenyl)-1-methyl-1-[2-(5-methyl-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethyl]urea

C19H23N3O3S2 — CID 46137544

IUPAC3-(2-methoxyphenyl)-1-methyl-1-[2-(5-methyl-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethyl]urea
SMILESCOc1ccccc1NC(=O)N(C)CCN1C(=O)C(C)SC1c1cccs1
InChIInChI=1S/C19H23N3O3S2/c1-13-17(23)22(18(27-13)16-9-6-12-26-16)11-10-21(2)19(24)20-14-7-4-5-8-15(14)25-3/h4-9,12-13,18H,10-11H2,1-3H3,(H,20,24)
InChIKeyXERAVDRIERBVAY-UHFFFAOYSA-N
MW405.55 g/mol
LogP3.88
Rot. Bonds6

About 3-(2-methoxyphenyl)-1-methyl-1-[2-(5-methyl-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethyl]urea

3-(2-methoxyphenyl)-1-methyl-1-[2-(5-methyl-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethyl]urea (PubChem CID 46137544) has the molecular formula C19H23N3O3S2 and a molecular weight of 405.55 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1-methyl-1-[2-(5-methyl-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethyl]urea.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1-methyl-1-[2-(5-methyl-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethyl]urea
PubChem CID46137544
Molecular FormulaC19H23N3O3S2
Molecular Weight405.55 g/mol
Exact Mass405.12
IUPAC Name3-(2-methoxyphenyl)-1-methyl-1-[2-(5-methyl-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethyl]urea
SMILESCOc1ccccc1NC(=O)N(C)CCN1C(=O)C(C)SC1c1cccs1
InChIInChI=1S/C19H23N3O3S2/c1-13-17(23)22(18(27-13)16-9-6-12-26-16)11-10-21(2)19(24)20-14-7-4-5-8-15(14)25-3/h4-9,12-13,18H,10-11H2,1-3H3,(H,20,24)
InChIKeyXERAVDRIERBVAY-UHFFFAOYSA-N
XLogP3.88
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(dimethylamino)ethyl]-5-methyl-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 42814189
N-[2-[2-(2-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-2-methyl-N-propan-2-ylpropanamide
CID 42815296
N-(2-methoxyphenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
CID 17436135
3-(2-methoxyphenyl)-1,1-dimethylurea
CID 4216204
3-[2-(2-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)propanamide
CID 42815127
3-(2-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
CID 16612937
(4R)-N-(2-methoxyphenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 695871
1-(1-ethylpiperidin-4-yl)-3-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)urea
CID 20908163
3-(2-methoxyphenyl)-1-methyl-1-[2-oxo-2-[(3R)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethyl]urea
CID 93131631
1-(2-aminopropyl)-3-(2-methoxyphenyl)-1-methylurea
CID 63766734
N-(2-methoxyphenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128861
(6R)-N-(2-methoxyphenyl)-3,4-dimethyl-2-sulfanylidene-6-thiophen-2-yl-1,6-dihydropyrimidine-5-carboxamide
CID 30201744

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1-methyl-1-[2-(5-methyl-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethyl]urea?
The IUPAC name of 3-(2-methoxyphenyl)-1-methyl-1-[2-(5-methyl-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethyl]urea (CID 46137544) is 3-(2-methoxyphenyl)-1-methyl-1-[2-(5-methyl-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethyl]urea.
What is the SMILES notation for 3-(2-methoxyphenyl)-1-methyl-1-[2-(5-methyl-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethyl]urea?
The canonical SMILES for 3-(2-methoxyphenyl)-1-methyl-1-[2-(5-methyl-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethyl]urea is COc1ccccc1NC(=O)N(C)CCN1C(=O)C(C)SC1c1cccs1.
What is the InChIKey of 3-(2-methoxyphenyl)-1-methyl-1-[2-(5-methyl-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethyl]urea?
The InChIKey is XERAVDRIERBVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S2/c1-13-17(23)22(18(27-13)16-9-6-12-26-16)11-10-21(2)19(24)20-14-7-4-5-8-15(14)25-3/h4-9,12-13,18H,10-11H2,1-3H3,(H,20,24).
What are the key properties of 3-(2-methoxyphenyl)-1-methyl-1-[2-(5-methyl-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethyl]urea?
3-(2-methoxyphenyl)-1-methyl-1-[2-(5-methyl-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethyl]urea has a molecular weight of 405.55 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1-methyl-1-[2-(5-methyl-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethyl]urea is sourced from PubChem (CID 46137544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).