ethane;1H-pyrazole;1,3-thiazole

C10H19N3S — CID 157442731

IUPACethane;1H-pyrazole;1,3-thiazole
SMILESCC.CC.c1cn[nH]c1.c1cscn1
InChIInChI=1S/C3H4N2.C3H3NS.2C2H6/c1-2-4-5-3-1;1-2-5-3-4-1;2*1-2/h1-3H,(H,4,5);1-3H;2*1-2H3
InChIKeyBRVYLARFCWKNNT-UHFFFAOYSA-N
MW213.35 g/mol
LogP3.61
Rot. Bonds

About ethane;1H-pyrazole;1,3-thiazole

ethane;1H-pyrazole;1,3-thiazole (PubChem CID 157442731) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is ethane;1H-pyrazole;1,3-thiazole.

Molecular Properties

Compound Nameethane;1H-pyrazole;1,3-thiazole
PubChem CID157442731
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Nameethane;1H-pyrazole;1,3-thiazole
SMILESCC.CC.c1cn[nH]c1.c1cscn1
InChIInChI=1S/C3H4N2.C3H3NS.2C2H6/c1-2-4-5-3-1;1-2-5-3-4-1;2*1-2/h1-3H,(H,4,5);1-3H;2*1-2H3
InChIKeyBRVYLARFCWKNNT-UHFFFAOYSA-N
XLogP3.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1H-pyrazole;1,3-thiazole?
The IUPAC name of ethane;1H-pyrazole;1,3-thiazole (CID 157442731) is ethane;1H-pyrazole;1,3-thiazole.
What is the SMILES notation for ethane;1H-pyrazole;1,3-thiazole?
The canonical SMILES for ethane;1H-pyrazole;1,3-thiazole is CC.CC.c1cn[nH]c1.c1cscn1.
What is the InChIKey of ethane;1H-pyrazole;1,3-thiazole?
The InChIKey is BRVYLARFCWKNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.C3H3NS.2C2H6/c1-2-4-5-3-1;1-2-5-3-4-1;2*1-2/h1-3H,(H,4,5);1-3H;2*1-2H3.
What are the key properties of ethane;1H-pyrazole;1,3-thiazole?
ethane;1H-pyrazole;1,3-thiazole has a molecular weight of 213.35 g/mol, XLogP of 3.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1H-pyrazole;1,3-thiazole is sourced from PubChem (CID 157442731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).