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

C6H5N3S — CID 20555356

IUPAC2-(1H-pyrazol-4-yl)-1,3-thiazole
SMILESc1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C6H5N3S/c1-2-10-6(7-1)5-3-8-9-4-5/h1-4H,(H,8,9)
InChIKeyQYETZDWVJUWUTQ-UHFFFAOYSA-N
MW151.19 g/mol
LogP1.53
Rot. Bonds1

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

2-(1H-pyrazol-4-yl)-1,3-thiazole (PubChem CID 20555356) has the molecular formula C6H5N3S and a molecular weight of 151.19 g/mol. Its IUPAC name is 2-(1H-pyrazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1H-pyrazol-4-yl)-1,3-thiazole
PubChem CID20555356
Molecular FormulaC6H5N3S
Molecular Weight151.19 g/mol
Exact Mass151.02
IUPAC Name2-(1H-pyrazol-4-yl)-1,3-thiazole
SMILESc1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C6H5N3S/c1-2-10-6(7-1)5-3-8-9-4-5/h1-4H,(H,8,9)
InChIKeyQYETZDWVJUWUTQ-UHFFFAOYSA-N
XLogP1.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole
CID 901538
4-(1H-pyrazol-4-yl)-1H-pyrazole
CID 2422340
4-(1H-pyrazol-4-yl)-N-(1,3-thiazol-2-yl)benzamide
CID 110464300
4-methoxy-2-(1H-pyrazol-4-yl)-1,3-thiazole
CID 159193486
4-(1-benzothiophen-5-yl)-1H-pyrazole
CID 67417702
[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]methanamine
CID 79487594
2-(5-fluoro-3-pyridinyl)-1,3-thiazole
CID 66633860
lithium;2-(1H-pyrazol-4-yl)-1,3-thiazole;2-(1H-pyrazol-4-yl)-5H-1,3-thiazol-5-ide;1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]-1-pyridin-4-ylpropan-1-ol;1-pyridin-4-ylpropan-1-one
CID 160793723
N-[5-(1H-pyrazol-4-yl)-2-pyridinyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]pyrimidin-4-amine
CID 137387265
2-(1H-pyrazol-4-yl)-1H-imidazole
CID 22037665
ethane;2-(1,3-thiazol-5-yl)-1,3-thiazole
CID 144537709
azane;4-(1,3-thiazol-2-yl)phenol
CID 175575077

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-4-yl)-1,3-thiazole?
The IUPAC name of 2-(1H-pyrazol-4-yl)-1,3-thiazole (CID 20555356) is 2-(1H-pyrazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 2-(1H-pyrazol-4-yl)-1,3-thiazole?
The canonical SMILES for 2-(1H-pyrazol-4-yl)-1,3-thiazole is c1csc(-c2cn[nH]c2)n1.
What is the InChIKey of 2-(1H-pyrazol-4-yl)-1,3-thiazole?
The InChIKey is QYETZDWVJUWUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3S/c1-2-10-6(7-1)5-3-8-9-4-5/h1-4H,(H,8,9).
What are the key properties of 2-(1H-pyrazol-4-yl)-1,3-thiazole?
2-(1H-pyrazol-4-yl)-1,3-thiazole has a molecular weight of 151.19 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 20555356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).