2-(4,5-dimethyl-1,3-thiazol-2-yl)-4-imidazol-1-yl-1H-pyrazol-3-one

C11H11N5OS — CID 59603660

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-4-imidazol-1-yl-1H-pyrazol-3-one
SMILESCc1nc(-n2[nH]cc(-n3ccnc3)c2=O)sc1C
InChIInChI=1S/C11H11N5OS/c1-7-8(2)18-11(14-7)16-10(17)9(5-13-16)15-4-3-12-6-15/h3-6,13H,1-2H3
InChIKeyHQQYLQDMSMCQFJ-UHFFFAOYSA-N
MW261.31 g/mol
LogP1.42
Rot. Bonds2

About 2-(4,5-dimethyl-1,3-thiazol-2-yl)-4-imidazol-1-yl-1H-pyrazol-3-one

2-(4,5-dimethyl-1,3-thiazol-2-yl)-4-imidazol-1-yl-1H-pyrazol-3-one (PubChem CID 59603660) has the molecular formula C11H11N5OS and a molecular weight of 261.31 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-4-imidazol-1-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-4-imidazol-1-yl-1H-pyrazol-3-one
PubChem CID59603660
Molecular FormulaC11H11N5OS
Molecular Weight261.31 g/mol
Exact Mass261.07
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-4-imidazol-1-yl-1H-pyrazol-3-one
SMILESCc1nc(-n2[nH]cc(-n3ccnc3)c2=O)sc1C
InChIInChI=1S/C11H11N5OS/c1-7-8(2)18-11(14-7)16-10(17)9(5-13-16)15-4-3-12-6-15/h3-6,13H,1-2H3
InChIKeyHQQYLQDMSMCQFJ-UHFFFAOYSA-N
XLogP1.42
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-imidazol-1-yl-2-(4-methyl-2-pyridinyl)-1H-pyrazol-3-one
CID 59603646
1-(2-methylthiophen-3-yl)imidazole
CID 123164453
2-[5-(2,2-dimethylpropoxy)-2-pyridinyl]-4-imidazol-1-yl-1H-pyrazol-3-one
CID 59603695
2-imidazol-1-yl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 51048808
N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 71791758
4-imidazol-1-yl-2-[6-(1,4-oxazepan-4-yl)pyrimidin-4-yl]-1H-pyrazol-3-one;hydrochloride
CID 66726305
4,5-dimethyl-2-(3-methylpyrazol-1-yl)-1,3-thiazole
CID 65168255
2-imidazol-1-yl-5-methyl-1,3-thiazole
CID 59693976
1-(2-imidazol-1-yl-1,3-thiazol-4-yl)ethanone
CID 58654376
1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-one
CID 65169259
1-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-amine
CID 65168466
4,5-dibromo-2-imidazol-1-yl-1,3-thiazole
CID 66521025

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-4-imidazol-1-yl-1H-pyrazol-3-one?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-4-imidazol-1-yl-1H-pyrazol-3-one (CID 59603660) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-4-imidazol-1-yl-1H-pyrazol-3-one.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-4-imidazol-1-yl-1H-pyrazol-3-one?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-4-imidazol-1-yl-1H-pyrazol-3-one is Cc1nc(-n2[nH]cc(-n3ccnc3)c2=O)sc1C.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-4-imidazol-1-yl-1H-pyrazol-3-one?
The InChIKey is HQQYLQDMSMCQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5OS/c1-7-8(2)18-11(14-7)16-10(17)9(5-13-16)15-4-3-12-6-15/h3-6,13H,1-2H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-4-imidazol-1-yl-1H-pyrazol-3-one?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-4-imidazol-1-yl-1H-pyrazol-3-one has a molecular weight of 261.31 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-4-imidazol-1-yl-1H-pyrazol-3-one is sourced from PubChem (CID 59603660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).