4-pyrrol-1-yl-1,2-thiazole

C7H6N2S — CID 67857165

IUPAC4-pyrrol-1-yl-1,2-thiazole
SMILESc1ccn(-c2cnsc2)c1
InChIInChI=1S/C7H6N2S/c1-2-4-9(3-1)7-5-8-10-6-7/h1-6H
InChIKeyKOTVLCMYLUHMHO-UHFFFAOYSA-N
MW150.21 g/mol
LogP1.93
Rot. Bonds1

About 4-pyrrol-1-yl-1,2-thiazole

4-pyrrol-1-yl-1,2-thiazole (PubChem CID 67857165) has the molecular formula C7H6N2S and a molecular weight of 150.21 g/mol. Its IUPAC name is 4-pyrrol-1-yl-1,2-thiazole.

Molecular Properties

Compound Name4-pyrrol-1-yl-1,2-thiazole
PubChem CID67857165
Molecular FormulaC7H6N2S
Molecular Weight150.21 g/mol
Exact Mass150.03
IUPAC Name4-pyrrol-1-yl-1,2-thiazole
SMILESc1ccn(-c2cnsc2)c1
InChIInChI=1S/C7H6N2S/c1-2-4-9(3-1)7-5-8-10-6-7/h1-6H
InChIKeyKOTVLCMYLUHMHO-UHFFFAOYSA-N
XLogP1.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.21
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrol-1-yl-1,2-thiazole?
The IUPAC name of 4-pyrrol-1-yl-1,2-thiazole (CID 67857165) is 4-pyrrol-1-yl-1,2-thiazole.
What is the SMILES notation for 4-pyrrol-1-yl-1,2-thiazole?
The canonical SMILES for 4-pyrrol-1-yl-1,2-thiazole is c1ccn(-c2cnsc2)c1.
What is the InChIKey of 4-pyrrol-1-yl-1,2-thiazole?
The InChIKey is KOTVLCMYLUHMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S/c1-2-4-9(3-1)7-5-8-10-6-7/h1-6H.
What are the key properties of 4-pyrrol-1-yl-1,2-thiazole?
4-pyrrol-1-yl-1,2-thiazole has a molecular weight of 150.21 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrol-1-yl-1,2-thiazole is sourced from PubChem (CID 67857165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).