1-(6-chloro-1,3-benzothiazol-2-yl)-1-ethylurea

C10H10ClN3OS — CID 70121045

IUPAC1-(6-chloro-1,3-benzothiazol-2-yl)-1-ethylurea
SMILESCCN(C(N)=O)c1nc2ccc(Cl)cc2s1
InChIInChI=1S/C10H10ClN3OS/c1-2-14(9(12)15)10-13-7-4-3-6(11)5-8(7)16-10/h3-5H,2H2,1H3,(H2,12,15)
InChIKeyMGMKSDOUUUZGBS-UHFFFAOYSA-N
MW255.73 g/mol
LogP2.85
Rot. Bonds2

About 1-(6-chloro-1,3-benzothiazol-2-yl)-1-ethylurea

1-(6-chloro-1,3-benzothiazol-2-yl)-1-ethylurea (PubChem CID 70121045) has the molecular formula C10H10ClN3OS and a molecular weight of 255.73 g/mol. Its IUPAC name is 1-(6-chloro-1,3-benzothiazol-2-yl)-1-ethylurea.

Molecular Properties

Compound Name1-(6-chloro-1,3-benzothiazol-2-yl)-1-ethylurea
PubChem CID70121045
Molecular FormulaC10H10ClN3OS
Molecular Weight255.73 g/mol
Exact Mass255.02
IUPAC Name1-(6-chloro-1,3-benzothiazol-2-yl)-1-ethylurea
SMILESCCN(C(N)=O)c1nc2ccc(Cl)cc2s1
InChIInChI=1S/C10H10ClN3OS/c1-2-14(9(12)15)10-13-7-4-3-6(11)5-8(7)16-10/h3-5H,2H2,1H3,(H2,12,15)
InChIKeyMGMKSDOUUUZGBS-UHFFFAOYSA-N
XLogP2.85
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(6-chloro-1,3-benzothiazol-2-yl)-1-ethylurea 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-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 7512171
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2,5-dimethylbenzamide
CID 41345224
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-4-methoxybenzamide
CID 7511395
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 43961905
N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-hydroxyethyl)cyclopropanecarboxamide
CID 155513750
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]acetamide;hydrochloride
CID 44925467
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-methylbenzamide
CID 7507632
4-butoxy-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide
CID 43959419
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 7208441
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 41345194
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-phenylacetamide;hydrochloride
CID 16808305
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-1,3-benzothiazole-2-carboxamide
CID 7208073

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1,3-benzothiazol-2-yl)-1-ethylurea?
The IUPAC name of 1-(6-chloro-1,3-benzothiazol-2-yl)-1-ethylurea (CID 70121045) is 1-(6-chloro-1,3-benzothiazol-2-yl)-1-ethylurea.
What is the SMILES notation for 1-(6-chloro-1,3-benzothiazol-2-yl)-1-ethylurea?
The canonical SMILES for 1-(6-chloro-1,3-benzothiazol-2-yl)-1-ethylurea is CCN(C(N)=O)c1nc2ccc(Cl)cc2s1.
What is the InChIKey of 1-(6-chloro-1,3-benzothiazol-2-yl)-1-ethylurea?
The InChIKey is MGMKSDOUUUZGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3OS/c1-2-14(9(12)15)10-13-7-4-3-6(11)5-8(7)16-10/h3-5H,2H2,1H3,(H2,12,15).
What are the key properties of 1-(6-chloro-1,3-benzothiazol-2-yl)-1-ethylurea?
1-(6-chloro-1,3-benzothiazol-2-yl)-1-ethylurea has a molecular weight of 255.73 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1,3-benzothiazol-2-yl)-1-ethylurea is sourced from PubChem (CID 70121045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).