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

C11H12BrN5OS — CID 69159006

IUPAC1-(5-bromo-1,3-thiazol-2-yl)-1-(3-cyclopropyl-1-methylpyrazol-5-yl)urea
SMILESCn1nc(C2CC2)cc1N(C(N)=O)c1ncc(Br)s1
InChIInChI=1S/C11H12BrN5OS/c1-16-9(4-7(15-16)6-2-3-6)17(10(13)18)11-14-5-8(12)19-11/h4-6H,2-3H2,1H3,(H2,13,18)
InChIKeyCQJAVDIVUYQPDX-UHFFFAOYSA-N
MW342.22 g/mol
LogP2.73
Rot. Bonds3

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

1-(5-bromo-1,3-thiazol-2-yl)-1-(3-cyclopropyl-1-methylpyrazol-5-yl)urea (PubChem CID 69159006) 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)-1-(3-cyclopropyl-1-methylpyrazol-5-yl)urea.

Molecular Properties

Compound Name1-(5-bromo-1,3-thiazol-2-yl)-1-(3-cyclopropyl-1-methylpyrazol-5-yl)urea
PubChem CID69159006
Molecular FormulaC11H12BrN5OS
Molecular Weight342.22 g/mol
Exact Mass340.99
IUPAC Name1-(5-bromo-1,3-thiazol-2-yl)-1-(3-cyclopropyl-1-methylpyrazol-5-yl)urea
SMILESCn1nc(C2CC2)cc1N(C(N)=O)c1ncc(Br)s1
InChIInChI=1S/C11H12BrN5OS/c1-16-9(4-7(15-16)6-2-3-6)17(10(13)18)11-14-5-8(12)19-11/h4-6H,2-3H2,1H3,(H2,13,18)
InChIKeyCQJAVDIVUYQPDX-UHFFFAOYSA-N
XLogP2.73
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 52.73
H-Bond Donors ≤ 51
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)-1-(3-cyclopropyl-1-methylpyrazol-5-yl)urea?
The IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)-1-(3-cyclopropyl-1-methylpyrazol-5-yl)urea (CID 69159006) is 1-(5-bromo-1,3-thiazol-2-yl)-1-(3-cyclopropyl-1-methylpyrazol-5-yl)urea.
What is the SMILES notation for 1-(5-bromo-1,3-thiazol-2-yl)-1-(3-cyclopropyl-1-methylpyrazol-5-yl)urea?
The canonical SMILES for 1-(5-bromo-1,3-thiazol-2-yl)-1-(3-cyclopropyl-1-methylpyrazol-5-yl)urea is Cn1nc(C2CC2)cc1N(C(N)=O)c1ncc(Br)s1.
What is the InChIKey of 1-(5-bromo-1,3-thiazol-2-yl)-1-(3-cyclopropyl-1-methylpyrazol-5-yl)urea?
The InChIKey is CQJAVDIVUYQPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5OS/c1-16-9(4-7(15-16)6-2-3-6)17(10(13)18)11-14-5-8(12)19-11/h4-6H,2-3H2,1H3,(H2,13,18).
What are the key properties of 1-(5-bromo-1,3-thiazol-2-yl)-1-(3-cyclopropyl-1-methylpyrazol-5-yl)urea?
1-(5-bromo-1,3-thiazol-2-yl)-1-(3-cyclopropyl-1-methylpyrazol-5-yl)urea has a molecular weight of 342.22 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 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)-1-(3-cyclopropyl-1-methylpyrazol-5-yl)urea is sourced from PubChem (CID 69159006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).