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

C11H13N3OS — CID 2130250

IUPAC1-(1,3-benzothiazol-2-yl)-3-propylurea
SMILESCCCNC(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C11H13N3OS/c1-2-7-12-10(15)14-11-13-8-5-3-4-6-9(8)16-11/h3-6H,2,7H2,1H3,(H2,12,13,14,15)
InChIKeyXYONTECNGQBAIV-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.83
Rot. Bonds3

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

1-(1,3-benzothiazol-2-yl)-3-propylurea (PubChem CID 2130250) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-3-propylurea.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-3-propylurea
PubChem CID2130250
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name1-(1,3-benzothiazol-2-yl)-3-propylurea
SMILESCCCNC(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C11H13N3OS/c1-2-7-12-10(15)14-11-13-8-5-3-4-6-9(8)16-11/h3-6H,2,7H2,1H3,(H2,12,13,14,15)
InChIKeyXYONTECNGQBAIV-UHFFFAOYSA-N
XLogP2.83
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1,3-benzothiazol-2-yl)-3-propylurea 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
Methabenzthiazuron
CID 29216
2,6-Benzothiazolediamine
CID 21504
Benzthiazuron
CID 16007
2-Piperazin-1-yl-1,3-benzothiazole
CID 592122
N-(6-Nitro-2-benzothiazolyl)acetamide
CID 731719
2-Amino-6-fluorobenzothiazole
CID 319954
N-(4-fluorophenyl)-1,3-benzothiazol-2-amine
CID 2360905
2-Guanidinobenzothiazole
CID 17415
N-Methylbenzothiazol-2-amine
CID 28160
Anilinobenzothiazole
CID 230981
N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
CID 959639

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-propylurea?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-propylurea (CID 2130250) is 1-(1,3-benzothiazol-2-yl)-3-propylurea.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-3-propylurea?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-3-propylurea is CCCNC(=O)Nc1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-3-propylurea?
The InChIKey is XYONTECNGQBAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-2-7-12-10(15)14-11-13-8-5-3-4-6-9(8)16-11/h3-6H,2,7H2,1H3,(H2,12,13,14,15).
What are the key properties of 1-(1,3-benzothiazol-2-yl)-3-propylurea?
1-(1,3-benzothiazol-2-yl)-3-propylurea has a molecular weight of 235.31 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-3-propylurea is sourced from PubChem (CID 2130250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).