1-(1,3-benzothiazol-2-ylmethyl)-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea

C21H19N3O3S — CID 55819421

IUPAC1-(1,3-benzothiazol-2-ylmethyl)-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea
SMILESO=C(NCc1nc2ccccc2s1)Nc1cccc(COCc2ccco2)c1
InChIInChI=1S/C21H19N3O3S/c25-21(22-12-20-24-18-8-1-2-9-19(18)28-20)23-16-6-3-5-15(11-16)13-26-14-17-7-4-10-27-17/h1-11H,12-14H2,(H2,22,23,25)
InChIKeyPSJXABHWOAWMPP-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.93
Rot. Bonds7

About 1-(1,3-benzothiazol-2-ylmethyl)-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea

1-(1,3-benzothiazol-2-ylmethyl)-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea (PubChem CID 55819421) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-ylmethyl)-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-ylmethyl)-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea
PubChem CID55819421
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name1-(1,3-benzothiazol-2-ylmethyl)-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea
SMILESO=C(NCc1nc2ccccc2s1)Nc1cccc(COCc2ccco2)c1
InChIInChI=1S/C21H19N3O3S/c25-21(22-12-20-24-18-8-1-2-9-19(18)28-20)23-16-6-3-5-15(11-16)13-26-14-17-7-4-10-27-17/h1-11H,12-14H2,(H2,22,23,25)
InChIKeyPSJXABHWOAWMPP-UHFFFAOYSA-N
XLogP4.93
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1,3-benzothiazol-2-ylmethyl)-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(pyridin-2-ylmethyl)urea
CID 51085457
1-(3-chlorophenyl)-3-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]urea
CID 38280820
1-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)urea
CID 55684243
1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[2-[(S)-methylsulfinyl]ethyl]urea
CID 95630481
1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 47050133
1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111431415
1-cyclopropyl-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea
CID 51085460
1-[2-(diethylamino)propyl]-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea
CID 55819935
N-(1,3-benzothiazol-2-ylmethyl)-1-(furan-2-yl)methanamine
CID 28665164
1-(1,3-benzothiazol-2-ylmethyl)-3-(4-iodophenyl)urea
CID 55696785
N-[3-(furan-2-ylmethoxymethyl)phenyl]thiomorpholine-4-carboxamide
CID 51085468
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide
CID 87033245

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-ylmethyl)-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea?
The IUPAC name of 1-(1,3-benzothiazol-2-ylmethyl)-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea (CID 55819421) is 1-(1,3-benzothiazol-2-ylmethyl)-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea.
What is the SMILES notation for 1-(1,3-benzothiazol-2-ylmethyl)-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea?
The canonical SMILES for 1-(1,3-benzothiazol-2-ylmethyl)-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea is O=C(NCc1nc2ccccc2s1)Nc1cccc(COCc2ccco2)c1.
What is the InChIKey of 1-(1,3-benzothiazol-2-ylmethyl)-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea?
The InChIKey is PSJXABHWOAWMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c25-21(22-12-20-24-18-8-1-2-9-19(18)28-20)23-16-6-3-5-15(11-16)13-26-14-17-7-4-10-27-17/h1-11H,12-14H2,(H2,22,23,25).
What are the key properties of 1-(1,3-benzothiazol-2-ylmethyl)-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea?
1-(1,3-benzothiazol-2-ylmethyl)-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea has a molecular weight of 393.47 g/mol, XLogP of 4.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-ylmethyl)-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea is sourced from PubChem (CID 55819421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).