1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)urea

C12H15N3O3S — CID 5146476

IUPAC1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC2=NCCS2)c(OC)c1
InChIInChI=1S/C12H15N3O3S/c1-17-8-3-4-9(10(7-8)18-2)14-11(16)15-12-13-5-6-19-12/h3-4,7H,5-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyLFLLYDMEYYTXNH-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.93
Rot. Bonds3

About 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)urea

1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)urea (PubChem CID 5146476) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)urea
PubChem CID5146476
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC2=NCCS2)c(OC)c1
InChIInChI=1S/C12H15N3O3S/c1-17-8-3-4-9(10(7-8)18-2)14-11(16)15-12-13-5-6-19-12/h3-4,7H,5-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyLFLLYDMEYYTXNH-UHFFFAOYSA-N
XLogP1.93
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5-dihydro-1,3-thiazol-2-yl)-2,5-dimethoxybenzamide
CID 78791862
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,4-dimethoxyphenyl)propanamide
CID 23998235
1-cyano-3-(2,4-dimethoxyphenyl)urea
CID 20559814
1-(2,4-dimethoxyphenyl)-3-(4-iodophenyl)urea
CID 2209592
1-(2,4-dimethoxyphenyl)-3-(6-methyl-2-pyridinyl)urea
CID 769338
1-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)urea
CID 17378932
1-(2,4-dimethoxyphenyl)-3-(4,5-dimethyl-1,3-benzothiazol-2-yl)urea
CID 121080700
N-(2,4-dimethoxyphenyl)-2-methylprop-2-enamide
CID 101065891
1-amino-N-(2,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 65466971
1-(2,4-dimethoxyphenyl)-3-(propan-2-ylideneamino)urea
CID 11988328
1-(2,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991641
1-(2,4-dimethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)urea
CID 7477694

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)urea?
The IUPAC name of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)urea (CID 5146476) is 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)urea.
What is the SMILES notation for 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)urea?
The canonical SMILES for 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)urea is COc1ccc(NC(=O)NC2=NCCS2)c(OC)c1.
What is the InChIKey of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)urea?
The InChIKey is LFLLYDMEYYTXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-17-8-3-4-9(10(7-8)18-2)14-11(16)15-12-13-5-6-19-12/h3-4,7H,5-6H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)urea?
1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)urea has a molecular weight of 281.34 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)urea is sourced from PubChem (CID 5146476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).