1-(4-bromo-5-methyl-1,3-thiazol-2-yl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea

C11H14BrN5OS — CID 154772295

IUPAC1-(4-bromo-5-methyl-1,3-thiazol-2-yl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
SMILESCc1sc(NC(=O)NC(C)c2cnn(C)c2)nc1Br
InChIInChI=1S/C11H14BrN5OS/c1-6(8-4-13-17(3)5-8)14-10(18)16-11-15-9(12)7(2)19-11/h4-6H,1-3H3,(H2,14,15,16,18)
InChIKeyLXWIHBHJCWINGR-UHFFFAOYSA-N
MW344.24 g/mol
LogP2.83
Rot. Bonds3

About 1-(4-bromo-5-methyl-1,3-thiazol-2-yl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea

1-(4-bromo-5-methyl-1,3-thiazol-2-yl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea (PubChem CID 154772295) has the molecular formula C11H14BrN5OS and a molecular weight of 344.24 g/mol. Its IUPAC name is 1-(4-bromo-5-methyl-1,3-thiazol-2-yl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-bromo-5-methyl-1,3-thiazol-2-yl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
PubChem CID154772295
Molecular FormulaC11H14BrN5OS
Molecular Weight344.24 g/mol
Exact Mass343.01
IUPAC Name1-(4-bromo-5-methyl-1,3-thiazol-2-yl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
SMILESCc1sc(NC(=O)NC(C)c2cnn(C)c2)nc1Br
InChIInChI=1S/C11H14BrN5OS/c1-6(8-4-13-17(3)5-8)14-10(18)16-11-15-9(12)7(2)19-11/h4-6H,1-3H3,(H2,14,15,16,18)
InChIKeyLXWIHBHJCWINGR-UHFFFAOYSA-N
XLogP2.83
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-bromo-5-methyl-1,3-thiazol-2-yl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea with MolForge

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Related Compounds

1-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 96524434
(2S,3R)-3-hydroxy-2-[1-(1-methylpyrazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 114286382
1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea
CID 146129464
1-(3-acetylphenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 45147173
1-(2,3-dichlorophenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 45147163
1-(3-hydroxybutyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 111507032
1-cyclohexyl-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 35276366
methyl 4-methyl-3-[[(1R)-1-(1-methylpyrazol-4-yl)ethyl]carbamoylamino]benzoate
CID 125130711
1-(2,6-dimethyl-4-pyridinyl)-3-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea
CID 138027918
1-(4-methylcyclohexyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 71868289
1-(5-chloro-2-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 45147188
2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 110470530

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-methyl-1,3-thiazol-2-yl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-(4-bromo-5-methyl-1,3-thiazol-2-yl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea (CID 154772295) is 1-(4-bromo-5-methyl-1,3-thiazol-2-yl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(4-bromo-5-methyl-1,3-thiazol-2-yl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(4-bromo-5-methyl-1,3-thiazol-2-yl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea is Cc1sc(NC(=O)NC(C)c2cnn(C)c2)nc1Br.
What is the InChIKey of 1-(4-bromo-5-methyl-1,3-thiazol-2-yl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea?
The InChIKey is LXWIHBHJCWINGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5OS/c1-6(8-4-13-17(3)5-8)14-10(18)16-11-15-9(12)7(2)19-11/h4-6H,1-3H3,(H2,14,15,16,18).
What are the key properties of 1-(4-bromo-5-methyl-1,3-thiazol-2-yl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea?
1-(4-bromo-5-methyl-1,3-thiazol-2-yl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea has a molecular weight of 344.24 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-methyl-1,3-thiazol-2-yl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 154772295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).