4H-pyrrolo[2,3-d][1,3]thiazole

C5H4N2S — CID 18442761

IUPAC4H-pyrrolo[2,3-d][1,3]thiazole
SMILESc1cc2scnc2[nH]1
InChIInChI=1S/C5H4N2S/c1-2-6-5-4(1)8-3-7-5/h1-3,6H
InChIKeyKFKYBWHCKOWCIS-UHFFFAOYSA-N
MW124.17 g/mol
LogP1.62
Rot. Bonds

About 4H-pyrrolo[2,3-d][1,3]thiazole

4H-pyrrolo[2,3-d][1,3]thiazole (PubChem CID 18442761) has the molecular formula C5H4N2S and a molecular weight of 124.17 g/mol. Its IUPAC name is 4H-pyrrolo[2,3-d][1,3]thiazole.

Molecular Properties

Compound Name4H-pyrrolo[2,3-d][1,3]thiazole
PubChem CID18442761
Molecular FormulaC5H4N2S
Molecular Weight124.17 g/mol
Exact Mass124.01
IUPAC Name4H-pyrrolo[2,3-d][1,3]thiazole
SMILESc1cc2scnc2[nH]1
InChIInChI=1S/C5H4N2S/c1-2-6-5-4(1)8-3-7-5/h1-3,6H
InChIKeyKFKYBWHCKOWCIS-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 4H-pyrrolo[2,3-d][1,3]thiazole?
The IUPAC name of 4H-pyrrolo[2,3-d][1,3]thiazole (CID 18442761) is 4H-pyrrolo[2,3-d][1,3]thiazole.
What is the SMILES notation for 4H-pyrrolo[2,3-d][1,3]thiazole?
The canonical SMILES for 4H-pyrrolo[2,3-d][1,3]thiazole is c1cc2scnc2[nH]1.
What is the InChIKey of 4H-pyrrolo[2,3-d][1,3]thiazole?
The InChIKey is KFKYBWHCKOWCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2S/c1-2-6-5-4(1)8-3-7-5/h1-3,6H.
What are the key properties of 4H-pyrrolo[2,3-d][1,3]thiazole?
4H-pyrrolo[2,3-d][1,3]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 4H-pyrrolo[2,3-d][1,3]thiazole is sourced from PubChem (CID 18442761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).