1-(5-bromo-1,3-thiazol-2-yl)-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea

C11H12BrN5OS — CID 86619992

IUPAC1-(5-bromo-1,3-thiazol-2-yl)-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea
SMILESCn1nc(C2CC2)cc1NC(=O)Nc1ncc(Br)s1
InChIInChI=1S/C11H12BrN5OS/c1-17-9(4-7(16-17)6-2-3-6)14-10(18)15-11-13-5-8(12)19-11/h4-6H,2-3H2,1H3,(H2,13,14,15,18)
InChIKeyULQAPLQBJRAHRS-UHFFFAOYSA-N
MW342.22 g/mol
LogP3.16
Rot. Bonds3

About 1-(5-bromo-1,3-thiazol-2-yl)-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea

1-(5-bromo-1,3-thiazol-2-yl)-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea (PubChem CID 86619992) has the molecular formula C11H12BrN5OS and a molecular weight of 342.22 g/mol. Its IUPAC name is 1-(5-bromo-1,3-thiazol-2-yl)-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea.

Molecular Properties

Compound Name1-(5-bromo-1,3-thiazol-2-yl)-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea
PubChem CID86619992
Molecular FormulaC11H12BrN5OS
Molecular Weight342.22 g/mol
Exact Mass340.99
IUPAC Name1-(5-bromo-1,3-thiazol-2-yl)-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea
SMILESCn1nc(C2CC2)cc1NC(=O)Nc1ncc(Br)s1
InChIInChI=1S/C11H12BrN5OS/c1-17-9(4-7(16-17)6-2-3-6)14-10(18)15-11-13-5-8(12)19-11/h4-6H,2-3H2,1H3,(H2,13,14,15,18)
InChIKeyULQAPLQBJRAHRS-UHFFFAOYSA-N
XLogP3.16
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea?
The IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea (CID 86619992) is 1-(5-bromo-1,3-thiazol-2-yl)-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea.
What is the SMILES notation for 1-(5-bromo-1,3-thiazol-2-yl)-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea?
The canonical SMILES for 1-(5-bromo-1,3-thiazol-2-yl)-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea is Cn1nc(C2CC2)cc1NC(=O)Nc1ncc(Br)s1.
What is the InChIKey of 1-(5-bromo-1,3-thiazol-2-yl)-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea?
The InChIKey is ULQAPLQBJRAHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5OS/c1-17-9(4-7(16-17)6-2-3-6)14-10(18)15-11-13-5-8(12)19-11/h4-6H,2-3H2,1H3,(H2,13,14,15,18).
What are the key properties of 1-(5-bromo-1,3-thiazol-2-yl)-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea?
1-(5-bromo-1,3-thiazol-2-yl)-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea has a molecular weight of 342.22 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1,3-thiazol-2-yl)-3-(3-cyclopropyl-1-methylpyrazol-5-yl)urea is sourced from PubChem (CID 86619992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).