1-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-(methoxymethyl)-1,3-benzothiazol-2-yl]urea

C18H17N3O3S — CID 166205473

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-(methoxymethyl)-1,3-benzothiazol-2-yl]urea
SMILESCOCc1cccc2sc(NC(=O)Nc3ccc4c(c3)CCO4)nc12
InChIInChI=1S/C18H17N3O3S/c1-23-10-12-3-2-4-15-16(12)20-18(25-15)21-17(22)19-13-5-6-14-11(9-13)7-8-24-14/h2-6,9H,7-8,10H2,1H3,(H2,19,20,21,22)
InChIKeyDAUZZEXHOLNTGO-UHFFFAOYSA-N
MW355.42 g/mol
LogP4.02
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-(methoxymethyl)-1,3-benzothiazol-2-yl]urea

1-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-(methoxymethyl)-1,3-benzothiazol-2-yl]urea (PubChem CID 166205473) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-(methoxymethyl)-1,3-benzothiazol-2-yl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-(methoxymethyl)-1,3-benzothiazol-2-yl]urea
PubChem CID166205473
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-(methoxymethyl)-1,3-benzothiazol-2-yl]urea
SMILESCOCc1cccc2sc(NC(=O)Nc3ccc4c(c3)CCO4)nc12
InChIInChI=1S/C18H17N3O3S/c1-23-10-12-3-2-4-15-16(12)20-18(25-15)21-17(22)19-13-5-6-14-11(9-13)7-8-24-14/h2-6,9H,7-8,10H2,1H3,(H2,19,20,21,22)
InChIKeyDAUZZEXHOLNTGO-UHFFFAOYSA-N
XLogP4.02
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-(methoxymethyl)-1,3-benzothiazol-2-yl]urea with MolForge

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Related Compounds

1-(1,3-Benzothiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 950701
methyl N-{6-[4-({[2-fluoro-5-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-1,3-benzothiazol-2-yl}carbamate
CID 10279624
1-(2-Hydroxyethyl)-3-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]urea
CID 71655728
N-benzyl-6-ethoxy-1,3-benzothiazol-2-amine
CID 5018499
1-Ethyl-3-(6-(2-methoxyphenyl)benzo[d]thiazol-2-yl)urea
CID 71655597
Bcr-Abl Inhibitor 9b
CID 71655598
1-[6-(4-Amino-2-methoxyphenyl)-1,3-benzothiazol-2-yl]-3-ethylurea
CID 71655666
1-(3-Hydroxypropyl)-3-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]urea
CID 71655729
1-[6-(2-Ethoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea
CID 71655731
1-[6-(2-Ethoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-hydroxyethyl)urea
CID 71655732
1-[6-(2-Ethoxyphenyl)-1,3-benzothiazol-2-yl]-3-(3-hydroxypropyl)urea
CID 71655733
1-[6-(2-Ethoxyphenyl)-1,3-benzothiazol-2-yl]-3-(2-piperazin-1-ylethyl)urea
CID 71655734

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-(methoxymethyl)-1,3-benzothiazol-2-yl]urea?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-(methoxymethyl)-1,3-benzothiazol-2-yl]urea (CID 166205473) is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-(methoxymethyl)-1,3-benzothiazol-2-yl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-(methoxymethyl)-1,3-benzothiazol-2-yl]urea?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-(methoxymethyl)-1,3-benzothiazol-2-yl]urea is COCc1cccc2sc(NC(=O)Nc3ccc4c(c3)CCO4)nc12.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-(methoxymethyl)-1,3-benzothiazol-2-yl]urea?
The InChIKey is DAUZZEXHOLNTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-23-10-12-3-2-4-15-16(12)20-18(25-15)21-17(22)19-13-5-6-14-11(9-13)7-8-24-14/h2-6,9H,7-8,10H2,1H3,(H2,19,20,21,22).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-(methoxymethyl)-1,3-benzothiazol-2-yl]urea?
1-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-(methoxymethyl)-1,3-benzothiazol-2-yl]urea has a molecular weight of 355.42 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-(methoxymethyl)-1,3-benzothiazol-2-yl]urea is sourced from PubChem (CID 166205473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).