1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea

C10H11N3OS — CID 29216

IUPAC1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea
SMILESCNC(=O)N(C)c1nc2ccccc2s1
InChIInChI=1S/C10H11N3OS/c1-11-9(14)13(2)10-12-7-5-3-4-6-8(7)15-10/h3-6H,1-2H3,(H,11,14)
InChIKeyRRVIAQKBTUQODI-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.07
Rot. Bonds1

About 1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea

1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea (PubChem CID 29216) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea
PubChem CID29216
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea
SMILESCNC(=O)N(C)c1nc2ccccc2s1
InChIInChI=1S/C10H11N3OS/c1-11-9(14)13(2)10-12-7-5-3-4-6-8(7)15-10/h3-6H,1-2H3,(H,11,14)
InChIKeyRRVIAQKBTUQODI-UHFFFAOYSA-N
XLogP2.07
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea 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

Benzo(d)thiazol-2-amine
CID 8706
Benzthiazuron
CID 16007
2-Piperazin-1-yl-1,3-benzothiazole
CID 592122
N-(4-fluorophenyl)-1,3-benzothiazol-2-amine
CID 2360905
2-Guanidinobenzothiazole
CID 17415
N-Methylbenzothiazol-2-amine
CID 28160
1,3-Bis(benzothiazol-2-ylthiomethyl)urea
CID 66766
Anilinobenzothiazole
CID 230981
S-(2-(2-Benzothiazolylamino)-2-oxoethyl) ethanethioate
CID 112568
2-Amino-6-fluorobenzothiazole
CID 319954
2-(4-Morpholinyl)benzothiazole
CID 77901
N-(2-amino-1,3-benzothiazol-6-yl)acetamide
CID 231904

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea (CID 29216) is 1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea is CNC(=O)N(C)c1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea?
The InChIKey is RRVIAQKBTUQODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-11-9(14)13(2)10-12-7-5-3-4-6-8(7)15-10/h3-6H,1-2H3,(H,11,14).
What are the key properties of 1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea?
1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea has a molecular weight of 221.28 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea is sourced from PubChem (CID 29216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).