6H-pyrrolo[3,2-d][1,2]thiazole

C5H4N2S — CID 136952691

IUPAC6H-pyrrolo[3,2-d][1,2]thiazole
SMILESc1cc2cnsc2[nH]1
InChIInChI=1S/C5H4N2S/c1-2-6-5-4(1)3-7-8-5/h1-3,6H
InChIKeyMQZZGXREUVYTKY-UHFFFAOYSA-N
MW124.17 g/mol
LogP1.62
Rot. Bonds

About 6H-pyrrolo[3,2-d][1,2]thiazole

6H-pyrrolo[3,2-d][1,2]thiazole (PubChem CID 136952691) has the molecular formula C5H4N2S and a molecular weight of 124.17 g/mol. Its IUPAC name is 6H-pyrrolo[3,2-d][1,2]thiazole.

Molecular Properties

Compound Name6H-pyrrolo[3,2-d][1,2]thiazole
PubChem CID136952691
Molecular FormulaC5H4N2S
Molecular Weight124.17 g/mol
Exact Mass124.01
IUPAC Name6H-pyrrolo[3,2-d][1,2]thiazole
SMILESc1cc2cnsc2[nH]1
InChIInChI=1S/C5H4N2S/c1-2-6-5-4(1)3-7-8-5/h1-3,6H
InChIKeyMQZZGXREUVYTKY-UHFFFAOYSA-N
XLogP1.62
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.17
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6H-pyrrolo[3,2-d][1,2]thiazole?
The IUPAC name of 6H-pyrrolo[3,2-d][1,2]thiazole (CID 136952691) is 6H-pyrrolo[3,2-d][1,2]thiazole.
What is the SMILES notation for 6H-pyrrolo[3,2-d][1,2]thiazole?
The canonical SMILES for 6H-pyrrolo[3,2-d][1,2]thiazole is c1cc2cnsc2[nH]1.
What is the InChIKey of 6H-pyrrolo[3,2-d][1,2]thiazole?
The InChIKey is MQZZGXREUVYTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2S/c1-2-6-5-4(1)3-7-8-5/h1-3,6H.
What are the key properties of 6H-pyrrolo[3,2-d][1,2]thiazole?
6H-pyrrolo[3,2-d][1,2]thiazole has a molecular weight of 124.17 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-pyrrolo[3,2-d][1,2]thiazole is sourced from PubChem (CID 136952691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).