4-methoxy-2-(1H-pyrazol-4-yl)-1,3-thiazole

C7H7N3OS — CID 159193486

IUPAC4-methoxy-2-(1H-pyrazol-4-yl)-1,3-thiazole
SMILESCOc1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C7H7N3OS/c1-11-6-4-12-7(10-6)5-2-8-9-3-5/h2-4H,1H3,(H,8,9)
InChIKeyJEVRJMLAERLOJD-UHFFFAOYSA-N
MW181.22 g/mol
LogP1.54
Rot. Bonds2

About 4-methoxy-2-(1H-pyrazol-4-yl)-1,3-thiazole

4-methoxy-2-(1H-pyrazol-4-yl)-1,3-thiazole (PubChem CID 159193486) has the molecular formula C7H7N3OS and a molecular weight of 181.22 g/mol. Its IUPAC name is 4-methoxy-2-(1H-pyrazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-methoxy-2-(1H-pyrazol-4-yl)-1,3-thiazole
PubChem CID159193486
Molecular FormulaC7H7N3OS
Molecular Weight181.22 g/mol
Exact Mass181.03
IUPAC Name4-methoxy-2-(1H-pyrazol-4-yl)-1,3-thiazole
SMILESCOc1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C7H7N3OS/c1-11-6-4-12-7(10-6)5-2-8-9-3-5/h2-4H,1H3,(H,8,9)
InChIKeyJEVRJMLAERLOJD-UHFFFAOYSA-N
XLogP1.54
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
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2-methoxy-6-(1H-pyrazol-4-yl)pyrazine
CID 139343527
2-(3-bromophenyl)-4-methoxy-1,3-thiazole
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5-methoxy-3-(1H-pyrazol-4-yl)-1,2,4-thiadiazole
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4-methoxy-2-(4-propan-2-ylsulfanylphenyl)-1,3-thiazole
CID 116891814
4-(1H-pyrazol-4-yl)-1H-pyrazole
CID 2422340
2-(1,3-benzodioxol-5-yl)-4-methoxy-1,3-thiazole
CID 116891760
N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 171600710
2-(1H-pyrazol-4-yl)-1,3-thiazole
CID 20555356
2-(1H-pyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 172595712
4-methoxy-2-(4-methoxy-2,5-dimethylphenyl)-1,3-thiazole
CID 116891772

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(1H-pyrazol-4-yl)-1,3-thiazole?
The IUPAC name of 4-methoxy-2-(1H-pyrazol-4-yl)-1,3-thiazole (CID 159193486) is 4-methoxy-2-(1H-pyrazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 4-methoxy-2-(1H-pyrazol-4-yl)-1,3-thiazole?
The canonical SMILES for 4-methoxy-2-(1H-pyrazol-4-yl)-1,3-thiazole is COc1csc(-c2cn[nH]c2)n1.
What is the InChIKey of 4-methoxy-2-(1H-pyrazol-4-yl)-1,3-thiazole?
The InChIKey is JEVRJMLAERLOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3OS/c1-11-6-4-12-7(10-6)5-2-8-9-3-5/h2-4H,1H3,(H,8,9).
What are the key properties of 4-methoxy-2-(1H-pyrazol-4-yl)-1,3-thiazole?
4-methoxy-2-(1H-pyrazol-4-yl)-1,3-thiazole has a molecular weight of 181.22 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(1H-pyrazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 159193486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).