1-[2-(1,3-benzothiazol-2-yl)ethyl]-3-naphthalen-2-ylurea

C20H17N3OS — CID 78832241

IUPAC1-[2-(1,3-benzothiazol-2-yl)ethyl]-3-naphthalen-2-ylurea
SMILESO=C(NCCc1nc2ccccc2s1)Nc1ccc2ccccc2c1
InChIInChI=1S/C20H17N3OS/c24-20(22-16-10-9-14-5-1-2-6-15(14)13-16)21-12-11-19-23-17-7-3-4-8-18(17)25-19/h1-10,13H,11-12H2,(H2,21,22,24)
InChIKeyQUPWFBNGAMBJAO-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.81
Rot. Bonds4

About 1-[2-(1,3-benzothiazol-2-yl)ethyl]-3-naphthalen-2-ylurea

1-[2-(1,3-benzothiazol-2-yl)ethyl]-3-naphthalen-2-ylurea (PubChem CID 78832241) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-[2-(1,3-benzothiazol-2-yl)ethyl]-3-naphthalen-2-ylurea.

Molecular Properties

Compound Name1-[2-(1,3-benzothiazol-2-yl)ethyl]-3-naphthalen-2-ylurea
PubChem CID78832241
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name1-[2-(1,3-benzothiazol-2-yl)ethyl]-3-naphthalen-2-ylurea
SMILESO=C(NCCc1nc2ccccc2s1)Nc1ccc2ccccc2c1
InChIInChI=1S/C20H17N3OS/c24-20(22-16-10-9-14-5-1-2-6-15(14)13-16)21-12-11-19-23-17-7-3-4-8-18(17)25-19/h1-10,13H,11-12H2,(H2,21,22,24)
InChIKeyQUPWFBNGAMBJAO-UHFFFAOYSA-N
XLogP4.81
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(1,3-benzothiazol-2-yl)ethyl]-3-naphthalen-2-ylurea 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

N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 46823899
N-[2-(1,3-benzothiazol-2-yl)ethyl]naphthalene-2-sulfonamide
CID 9190734
2-(3-acetylphenoxy)-N-[2-(1,3-benzothiazol-2-yl)ethyl]acetamide
CID 25494031
1-(1,3-benzothiazol-2-ylmethyl)-3-(4-iodophenyl)urea
CID 55696785
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide
CID 114996265
(2R)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]propanamide
CID 119272632
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-phenylsulfanylacetamide
CID 51207948
2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methylpropanamide;hydrochloride
CID 119272618
(2R)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]propanamide;hydrochloride
CID 119272631
3-(naphthalen-2-ylcarbamoylamino)propanamide
CID 23023573
1-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(2-phenylethyl)thiourea
CID 9283961
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-methylbenzamide
CID 51207900

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-benzothiazol-2-yl)ethyl]-3-naphthalen-2-ylurea?
The IUPAC name of 1-[2-(1,3-benzothiazol-2-yl)ethyl]-3-naphthalen-2-ylurea (CID 78832241) is 1-[2-(1,3-benzothiazol-2-yl)ethyl]-3-naphthalen-2-ylurea.
What is the SMILES notation for 1-[2-(1,3-benzothiazol-2-yl)ethyl]-3-naphthalen-2-ylurea?
The canonical SMILES for 1-[2-(1,3-benzothiazol-2-yl)ethyl]-3-naphthalen-2-ylurea is O=C(NCCc1nc2ccccc2s1)Nc1ccc2ccccc2c1.
What is the InChIKey of 1-[2-(1,3-benzothiazol-2-yl)ethyl]-3-naphthalen-2-ylurea?
The InChIKey is QUPWFBNGAMBJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c24-20(22-16-10-9-14-5-1-2-6-15(14)13-16)21-12-11-19-23-17-7-3-4-8-18(17)25-19/h1-10,13H,11-12H2,(H2,21,22,24).
What are the key properties of 1-[2-(1,3-benzothiazol-2-yl)ethyl]-3-naphthalen-2-ylurea?
1-[2-(1,3-benzothiazol-2-yl)ethyl]-3-naphthalen-2-ylurea has a molecular weight of 347.44 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-benzothiazol-2-yl)ethyl]-3-naphthalen-2-ylurea is sourced from PubChem (CID 78832241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).