5-(1H-pyrazol-5-yl)-2-pyridin-4-yl-1,3-thiazole

C11H8N4S — CID 1482789

IUPAC5-(1H-pyrazol-5-yl)-2-pyridin-4-yl-1,3-thiazole
SMILESc1cc(-c2ncc(-c3ccn[nH]3)s2)ccn1
InChIInChI=1S/C11H8N4S/c1-4-12-5-2-8(1)11-13-7-10(16-11)9-3-6-14-15-9/h1-7H,(H,14,15)
InChIKeyUIBACKAHNXCNFW-UHFFFAOYSA-N
MW228.28 g/mol
LogP2.60
Rot. Bonds2

About 5-(1H-pyrazol-5-yl)-2-pyridin-4-yl-1,3-thiazole

5-(1H-pyrazol-5-yl)-2-pyridin-4-yl-1,3-thiazole (PubChem CID 1482789) has the molecular formula C11H8N4S and a molecular weight of 228.28 g/mol. Its IUPAC name is 5-(1H-pyrazol-5-yl)-2-pyridin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name5-(1H-pyrazol-5-yl)-2-pyridin-4-yl-1,3-thiazole
PubChem CID1482789
Molecular FormulaC11H8N4S
Molecular Weight228.28 g/mol
Exact Mass228.05
IUPAC Name5-(1H-pyrazol-5-yl)-2-pyridin-4-yl-1,3-thiazole
SMILESc1cc(-c2ncc(-c3ccn[nH]3)s2)ccn1
InChIInChI=1S/C11H8N4S/c1-4-12-5-2-8(1)11-13-7-10(16-11)9-3-6-14-15-9/h1-7H,(H,14,15)
InChIKeyUIBACKAHNXCNFW-UHFFFAOYSA-N
XLogP2.60
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrazol-5-yl)-2-pyridin-4-yl-1,3-thiazole?
The IUPAC name of 5-(1H-pyrazol-5-yl)-2-pyridin-4-yl-1,3-thiazole (CID 1482789) is 5-(1H-pyrazol-5-yl)-2-pyridin-4-yl-1,3-thiazole.
What is the SMILES notation for 5-(1H-pyrazol-5-yl)-2-pyridin-4-yl-1,3-thiazole?
The canonical SMILES for 5-(1H-pyrazol-5-yl)-2-pyridin-4-yl-1,3-thiazole is c1cc(-c2ncc(-c3ccn[nH]3)s2)ccn1.
What is the InChIKey of 5-(1H-pyrazol-5-yl)-2-pyridin-4-yl-1,3-thiazole?
The InChIKey is UIBACKAHNXCNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4S/c1-4-12-5-2-8(1)11-13-7-10(16-11)9-3-6-14-15-9/h1-7H,(H,14,15).
What are the key properties of 5-(1H-pyrazol-5-yl)-2-pyridin-4-yl-1,3-thiazole?
5-(1H-pyrazol-5-yl)-2-pyridin-4-yl-1,3-thiazole has a molecular weight of 228.28 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrazol-5-yl)-2-pyridin-4-yl-1,3-thiazole is sourced from PubChem (CID 1482789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).