1H-pyrazole;1,3-thiazole

C6H7N3S — CID 23459354

IUPAC1H-pyrazole;1,3-thiazole
SMILESc1cn[nH]c1.c1cscn1
InChIInChI=1S/C3H4N2.C3H3NS/c1-2-4-5-3-1;1-2-5-3-4-1/h1-3H,(H,4,5);1-3H
InChIKeyNYUKTFZVAKBIDK-UHFFFAOYSA-N
MW153.21 g/mol
LogP1.55
Rot. Bonds

About 1H-pyrazole;1,3-thiazole

1H-pyrazole;1,3-thiazole (PubChem CID 23459354) has the molecular formula C6H7N3S and a molecular weight of 153.21 g/mol. Its IUPAC name is 1H-pyrazole;1,3-thiazole.

Molecular Properties

Compound Name1H-pyrazole;1,3-thiazole
PubChem CID23459354
Molecular FormulaC6H7N3S
Molecular Weight153.21 g/mol
Exact Mass153.04
IUPAC Name1H-pyrazole;1,3-thiazole
SMILESc1cn[nH]c1.c1cscn1
InChIInChI=1S/C3H4N2.C3H3NS/c1-2-4-5-3-1;1-2-5-3-4-1/h1-3H,(H,4,5);1-3H
InChIKeyNYUKTFZVAKBIDK-UHFFFAOYSA-N
XLogP1.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazole;1,3-thiazole?
The IUPAC name of 1H-pyrazole;1,3-thiazole (CID 23459354) is 1H-pyrazole;1,3-thiazole.
What is the SMILES notation for 1H-pyrazole;1,3-thiazole?
The canonical SMILES for 1H-pyrazole;1,3-thiazole is c1cn[nH]c1.c1cscn1.
What is the InChIKey of 1H-pyrazole;1,3-thiazole?
The InChIKey is NYUKTFZVAKBIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.C3H3NS/c1-2-4-5-3-1;1-2-5-3-4-1/h1-3H,(H,4,5);1-3H.
What are the key properties of 1H-pyrazole;1,3-thiazole?
1H-pyrazole;1,3-thiazole has a molecular weight of 153.21 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazole;1,3-thiazole is sourced from PubChem (CID 23459354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).