2-(1-propylpyrazol-4-yl)-1,3-thiazole

C9H11N3S — CID 123221728

IUPAC2-(1-propylpyrazol-4-yl)-1,3-thiazole
SMILESCCCn1cc(-c2nccs2)cn1
InChIInChI=1S/C9H11N3S/c1-2-4-12-7-8(6-11-12)9-10-3-5-13-9/h3,5-7H,2,4H2,1H3
InChIKeyAGRYKYIHCXCIGY-UHFFFAOYSA-N
MW193.28 g/mol
LogP2.42
Rot. Bonds3

About 2-(1-propylpyrazol-4-yl)-1,3-thiazole

2-(1-propylpyrazol-4-yl)-1,3-thiazole (PubChem CID 123221728) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is 2-(1-propylpyrazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1-propylpyrazol-4-yl)-1,3-thiazole
PubChem CID123221728
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC Name2-(1-propylpyrazol-4-yl)-1,3-thiazole
SMILESCCCn1cc(-c2nccs2)cn1
InChIInChI=1S/C9H11N3S/c1-2-4-12-7-8(6-11-12)9-10-3-5-13-9/h3,5-7H,2,4H2,1H3
InChIKeyAGRYKYIHCXCIGY-UHFFFAOYSA-N
XLogP2.42
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propylpyrazol-4-yl)-1,3-thiazole?
The IUPAC name of 2-(1-propylpyrazol-4-yl)-1,3-thiazole (CID 123221728) is 2-(1-propylpyrazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 2-(1-propylpyrazol-4-yl)-1,3-thiazole?
The canonical SMILES for 2-(1-propylpyrazol-4-yl)-1,3-thiazole is CCCn1cc(-c2nccs2)cn1.
What is the InChIKey of 2-(1-propylpyrazol-4-yl)-1,3-thiazole?
The InChIKey is AGRYKYIHCXCIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-2-4-12-7-8(6-11-12)9-10-3-5-13-9/h3,5-7H,2,4H2,1H3.
What are the key properties of 2-(1-propylpyrazol-4-yl)-1,3-thiazole?
2-(1-propylpyrazol-4-yl)-1,3-thiazole has a molecular weight of 193.28 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylpyrazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 123221728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).