1-[5-bromo-4-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-cyclopropylurea

C13H13BrN4OS — CID 68641387

IUPAC1-[5-bromo-4-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-cyclopropylurea
SMILESCc1csc(-c2cc(NC(=O)NC3CC3)ncc2Br)n1
InChIInChI=1S/C13H13BrN4OS/c1-7-6-20-12(16-7)9-4-11(15-5-10(9)14)18-13(19)17-8-2-3-8/h4-6,8H,2-3H2,1H3,(H2,15,17,18,19)
InChIKeyXDZLYUCWPSJOSL-UHFFFAOYSA-N
MW353.25 g/mol
LogP3.56
Rot. Bonds3

About 1-[5-bromo-4-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-cyclopropylurea

1-[5-bromo-4-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-cyclopropylurea (PubChem CID 68641387) has the molecular formula C13H13BrN4OS and a molecular weight of 353.25 g/mol. Its IUPAC name is 1-[5-bromo-4-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[5-bromo-4-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-cyclopropylurea
PubChem CID68641387
Molecular FormulaC13H13BrN4OS
Molecular Weight353.25 g/mol
Exact Mass352.00
IUPAC Name1-[5-bromo-4-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-cyclopropylurea
SMILESCc1csc(-c2cc(NC(=O)NC3CC3)ncc2Br)n1
InChIInChI=1S/C13H13BrN4OS/c1-7-6-20-12(16-7)9-4-11(15-5-10(9)14)18-13(19)17-8-2-3-8/h4-6,8H,2-3H2,1H3,(H2,15,17,18,19)
InChIKeyXDZLYUCWPSJOSL-UHFFFAOYSA-N
XLogP3.56
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-4-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-cyclopropylurea?
The IUPAC name of 1-[5-bromo-4-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-cyclopropylurea (CID 68641387) is 1-[5-bromo-4-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-cyclopropylurea.
What is the SMILES notation for 1-[5-bromo-4-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-cyclopropylurea?
The canonical SMILES for 1-[5-bromo-4-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-cyclopropylurea is Cc1csc(-c2cc(NC(=O)NC3CC3)ncc2Br)n1.
What is the InChIKey of 1-[5-bromo-4-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-cyclopropylurea?
The InChIKey is XDZLYUCWPSJOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4OS/c1-7-6-20-12(16-7)9-4-11(15-5-10(9)14)18-13(19)17-8-2-3-8/h4-6,8H,2-3H2,1H3,(H2,15,17,18,19).
What are the key properties of 1-[5-bromo-4-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-cyclopropylurea?
1-[5-bromo-4-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-cyclopropylurea has a molecular weight of 353.25 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-4-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]-3-cyclopropylurea is sourced from PubChem (CID 68641387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).