1H-pyrrole;1,3-thiazole

C7H8N2S — CID 66963382

IUPAC1H-pyrrole;1,3-thiazole
SMILESc1cc[nH]c1.c1cscn1
InChIInChI=1S/C4H5N.C3H3NS/c1-2-4-5-3-1;1-2-5-3-4-1/h1-5H;1-3H
InChIKeyZAMFMWOTDLEXLY-UHFFFAOYSA-N
MW152.22 g/mol
LogP2.16
Rot. Bonds

About 1H-pyrrole;1,3-thiazole

1H-pyrrole;1,3-thiazole (PubChem CID 66963382) has the molecular formula C7H8N2S and a molecular weight of 152.22 g/mol. Its IUPAC name is 1H-pyrrole;1,3-thiazole.

Molecular Properties

Compound Name1H-pyrrole;1,3-thiazole
PubChem CID66963382
Molecular FormulaC7H8N2S
Molecular Weight152.22 g/mol
Exact Mass152.04
IUPAC Name1H-pyrrole;1,3-thiazole
SMILESc1cc[nH]c1.c1cscn1
InChIInChI=1S/C4H5N.C3H3NS/c1-2-4-5-3-1;1-2-5-3-4-1/h1-5H;1-3H
InChIKeyZAMFMWOTDLEXLY-UHFFFAOYSA-N
XLogP2.16
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrrole;1,3-thiazole?
The IUPAC name of 1H-pyrrole;1,3-thiazole (CID 66963382) is 1H-pyrrole;1,3-thiazole.
What is the SMILES notation for 1H-pyrrole;1,3-thiazole?
The canonical SMILES for 1H-pyrrole;1,3-thiazole is c1cc[nH]c1.c1cscn1.
What is the InChIKey of 1H-pyrrole;1,3-thiazole?
The InChIKey is ZAMFMWOTDLEXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.C3H3NS/c1-2-4-5-3-1;1-2-5-3-4-1/h1-5H;1-3H.
What are the key properties of 1H-pyrrole;1,3-thiazole?
1H-pyrrole;1,3-thiazole has a molecular weight of 152.22 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrole;1,3-thiazole is sourced from PubChem (CID 66963382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).