1-(1,3-thiazol-2-yl)pentylurea

C9H15N3OS — CID 70015540

IUPAC1-(1,3-thiazol-2-yl)pentylurea
SMILESCCCCC(NC(N)=O)c1nccs1
InChIInChI=1S/C9H15N3OS/c1-2-3-4-7(12-9(10)13)8-11-5-6-14-8/h5-7H,2-4H2,1H3,(H3,10,12,13)
InChIKeyVIAJIUCWOVSNDN-UHFFFAOYSA-N
MW213.31 g/mol
LogP2.04
Rot. Bonds5

About 1-(1,3-thiazol-2-yl)pentylurea

1-(1,3-thiazol-2-yl)pentylurea (PubChem CID 70015540) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)pentylurea.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)pentylurea
PubChem CID70015540
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name1-(1,3-thiazol-2-yl)pentylurea
SMILESCCCCC(NC(N)=O)c1nccs1
InChIInChI=1S/C9H15N3OS/c1-2-3-4-7(12-9(10)13)8-11-5-6-14-8/h5-7H,2-4H2,1H3,(H3,10,12,13)
InChIKeyVIAJIUCWOVSNDN-UHFFFAOYSA-N
XLogP2.04
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1,3-thiazol-2-yl)pentylurea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)pentylurea?
The IUPAC name of 1-(1,3-thiazol-2-yl)pentylurea (CID 70015540) is 1-(1,3-thiazol-2-yl)pentylurea.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)pentylurea?
The canonical SMILES for 1-(1,3-thiazol-2-yl)pentylurea is CCCCC(NC(N)=O)c1nccs1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)pentylurea?
The InChIKey is VIAJIUCWOVSNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-2-3-4-7(12-9(10)13)8-11-5-6-14-8/h5-7H,2-4H2,1H3,(H3,10,12,13).
What are the key properties of 1-(1,3-thiazol-2-yl)pentylurea?
1-(1,3-thiazol-2-yl)pentylurea has a molecular weight of 213.31 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)pentylurea is sourced from PubChem (CID 70015540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).