1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(1-methylpyrazol-3-yl)urea

C12H15N5OS — CID 122150551

IUPAC1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(1-methylpyrazol-3-yl)urea
SMILESCn1ccc(NC(=O)Nc2nc(C3CCC3)cs2)n1
InChIInChI=1S/C12H15N5OS/c1-17-6-5-10(16-17)14-11(18)15-12-13-9(7-19-12)8-3-2-4-8/h5-8H,2-4H2,1H3,(H2,13,14,15,16,18)
InChIKeyJQMSSFZLTFCPPY-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.79
Rot. Bonds3

About 1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(1-methylpyrazol-3-yl)urea

1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(1-methylpyrazol-3-yl)urea (PubChem CID 122150551) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is 1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(1-methylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(1-methylpyrazol-3-yl)urea
PubChem CID122150551
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(1-methylpyrazol-3-yl)urea
SMILESCn1ccc(NC(=O)Nc2nc(C3CCC3)cs2)n1
InChIInChI=1S/C12H15N5OS/c1-17-6-5-10(16-17)14-11(18)15-12-13-9(7-19-12)8-3-2-4-8/h5-8H,2-4H2,1H3,(H2,13,14,15,16,18)
InChIKeyJQMSSFZLTFCPPY-UHFFFAOYSA-N
XLogP2.79
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylacetamide
CID 33303284
1-(4-Butan-2-yl-1,3-thiazol-2-yl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 71870199
1-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 97437185
1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[(2S)-2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 97826372
1-[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]-3-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]urea
CID 164642973
1-(1-Methylpyrazol-3-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
CID 166184130
1-(2,5-Dimethylpyrazol-3-yl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
CID 22559585
(2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide
CID 33340942
(2R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide
CID 33340949
2-methyl-N-[4-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
CID 47046849
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide
CID 47163627
2-(3-aminopyrazol-1-yl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)acetamide
CID 62112751

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(1-methylpyrazol-3-yl)urea?
The IUPAC name of 1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(1-methylpyrazol-3-yl)urea (CID 122150551) is 1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(1-methylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(1-methylpyrazol-3-yl)urea?
The canonical SMILES for 1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(1-methylpyrazol-3-yl)urea is Cn1ccc(NC(=O)Nc2nc(C3CCC3)cs2)n1.
What is the InChIKey of 1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(1-methylpyrazol-3-yl)urea?
The InChIKey is JQMSSFZLTFCPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-17-6-5-10(16-17)14-11(18)15-12-13-9(7-19-12)8-3-2-4-8/h5-8H,2-4H2,1H3,(H2,13,14,15,16,18).
What are the key properties of 1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(1-methylpyrazol-3-yl)urea?
1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(1-methylpyrazol-3-yl)urea has a molecular weight of 277.35 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutyl-1,3-thiazol-2-yl)-3-(1-methylpyrazol-3-yl)urea is sourced from PubChem (CID 122150551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).