1-(1,5-dimethylpyrazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea

C11H15N5OS — CID 75432206

IUPAC1-(1,5-dimethylpyrazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea
SMILESCc1cc(NC(=O)NCCc2cscn2)nn1C
InChIInChI=1S/C11H15N5OS/c1-8-5-10(15-16(8)2)14-11(17)12-4-3-9-6-18-7-13-9/h5-7H,3-4H2,1-2H3,(H2,12,14,15,17)
InChIKeyAOTKUPVQCKTQMU-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.55
Rot. Bonds4

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

1-(1,5-dimethylpyrazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea (PubChem CID 75432206) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea
PubChem CID75432206
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name1-(1,5-dimethylpyrazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea
SMILESCc1cc(NC(=O)NCCc2cscn2)nn1C
InChIInChI=1S/C11H15N5OS/c1-8-5-10(15-16(8)2)14-11(17)12-4-3-9-6-18-7-13-9/h5-7H,3-4H2,1-2H3,(H2,12,14,15,17)
InChIKeyAOTKUPVQCKTQMU-UHFFFAOYSA-N
XLogP1.55
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-(2-(1H-pyrazol-1-yl)thiazol-4-yl)ethyl)-3-(tert-butyl)urea
CID 71802231
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 91831739
1-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-3-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)urea
CID 138026009
1-(2,5-Dimethylpyrazol-3-yl)-3-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]urea
CID 71986297
1-(3-Ethyl-1-methylpyrazol-5-yl)-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]urea
CID 72117561
1-(2,5-dimethylpyrazol-3-yl)-3-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]urea
CID 95904300
1-(2,5-dimethylpyrazol-3-yl)-3-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]urea
CID 95904301
N-(2,5-dimethylpyrazol-3-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 136573419
2-(2-methyl-1,3-thiazol-4-yl)-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide
CID 137930670
N-(2,5-dimethylpyrazol-3-yl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 45811615
1-(2,5-Dimethylpyrazol-3-yl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
CID 22559585
1-(2,5-Dimethylpyrazol-3-yl)-1-(5-propan-2-yl-1,3-thiazol-2-yl)urea
CID 53911704

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea (CID 75432206) is 1-(1,5-dimethylpyrazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(1,5-dimethylpyrazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea is Cc1cc(NC(=O)NCCc2cscn2)nn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is AOTKUPVQCKTQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-8-5-10(15-16(8)2)14-11(17)12-4-3-9-6-18-7-13-9/h5-7H,3-4H2,1-2H3,(H2,12,14,15,17).
What are the key properties of 1-(1,5-dimethylpyrazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea?
1-(1,5-dimethylpyrazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea has a molecular weight of 265.34 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-3-yl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 75432206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).