1-(1-iodopyrazol-4-yl)-3-(4-methyl-1,3-thiazol-5-yl)urea

C8H8IN5OS — CID 143899936

IUPAC1-(1-iodopyrazol-4-yl)-3-(4-methyl-1,3-thiazol-5-yl)urea
SMILESCc1ncsc1NC(=O)Nc1cnn(I)c1
InChIInChI=1S/C8H8IN5OS/c1-5-7(16-4-10-5)13-8(15)12-6-2-11-14(9)3-6/h2-4H,1H3,(H2,12,13,15)
InChIKeyFMCIHQLYBJNTLE-UHFFFAOYSA-N
MW349.16 g/mol
LogP2.49
Rot. Bonds2

About 1-(1-iodopyrazol-4-yl)-3-(4-methyl-1,3-thiazol-5-yl)urea

1-(1-iodopyrazol-4-yl)-3-(4-methyl-1,3-thiazol-5-yl)urea (PubChem CID 143899936) has the molecular formula C8H8IN5OS and a molecular weight of 349.16 g/mol. Its IUPAC name is 1-(1-iodopyrazol-4-yl)-3-(4-methyl-1,3-thiazol-5-yl)urea.

Molecular Properties

Compound Name1-(1-iodopyrazol-4-yl)-3-(4-methyl-1,3-thiazol-5-yl)urea
PubChem CID143899936
Molecular FormulaC8H8IN5OS
Molecular Weight349.16 g/mol
Exact Mass348.95
IUPAC Name1-(1-iodopyrazol-4-yl)-3-(4-methyl-1,3-thiazol-5-yl)urea
SMILESCc1ncsc1NC(=O)Nc1cnn(I)c1
InChIInChI=1S/C8H8IN5OS/c1-5-7(16-4-10-5)13-8(15)12-6-2-11-14(9)3-6/h2-4H,1H3,(H2,12,13,15)
InChIKeyFMCIHQLYBJNTLE-UHFFFAOYSA-N
XLogP2.49
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.16
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-iodopyrazol-4-yl)-3-(4-methyl-1,3-thiazol-5-yl)urea?
The IUPAC name of 1-(1-iodopyrazol-4-yl)-3-(4-methyl-1,3-thiazol-5-yl)urea (CID 143899936) is 1-(1-iodopyrazol-4-yl)-3-(4-methyl-1,3-thiazol-5-yl)urea.
What is the SMILES notation for 1-(1-iodopyrazol-4-yl)-3-(4-methyl-1,3-thiazol-5-yl)urea?
The canonical SMILES for 1-(1-iodopyrazol-4-yl)-3-(4-methyl-1,3-thiazol-5-yl)urea is Cc1ncsc1NC(=O)Nc1cnn(I)c1.
What is the InChIKey of 1-(1-iodopyrazol-4-yl)-3-(4-methyl-1,3-thiazol-5-yl)urea?
The InChIKey is FMCIHQLYBJNTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8IN5OS/c1-5-7(16-4-10-5)13-8(15)12-6-2-11-14(9)3-6/h2-4H,1H3,(H2,12,13,15).
What are the key properties of 1-(1-iodopyrazol-4-yl)-3-(4-methyl-1,3-thiazol-5-yl)urea?
1-(1-iodopyrazol-4-yl)-3-(4-methyl-1,3-thiazol-5-yl)urea has a molecular weight of 349.16 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-iodopyrazol-4-yl)-3-(4-methyl-1,3-thiazol-5-yl)urea is sourced from PubChem (CID 143899936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).