4-(1H-pyrrol-3-yl)-1,3-thiazole

C7H6N2S — CID 118537050

IUPAC4-(1H-pyrrol-3-yl)-1,3-thiazole
SMILESc1cc(-c2cscn2)c[nH]1
InChIInChI=1S/C7H6N2S/c1-2-8-3-6(1)7-4-10-5-9-7/h1-5,8H
InChIKeyWXVOWZMMISSPDP-UHFFFAOYSA-N
MW150.21 g/mol
LogP2.14
Rot. Bonds1

About 4-(1H-pyrrol-3-yl)-1,3-thiazole

4-(1H-pyrrol-3-yl)-1,3-thiazole (PubChem CID 118537050) has the molecular formula C7H6N2S and a molecular weight of 150.21 g/mol. Its IUPAC name is 4-(1H-pyrrol-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(1H-pyrrol-3-yl)-1,3-thiazole
PubChem CID118537050
Molecular FormulaC7H6N2S
Molecular Weight150.21 g/mol
Exact Mass150.03
IUPAC Name4-(1H-pyrrol-3-yl)-1,3-thiazole
SMILESc1cc(-c2cscn2)c[nH]1
InChIInChI=1S/C7H6N2S/c1-2-8-3-6(1)7-4-10-5-9-7/h1-5,8H
InChIKeyWXVOWZMMISSPDP-UHFFFAOYSA-N
XLogP2.14
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.21
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrrol-3-yl)-1,3-thiazole?
The IUPAC name of 4-(1H-pyrrol-3-yl)-1,3-thiazole (CID 118537050) is 4-(1H-pyrrol-3-yl)-1,3-thiazole.
What is the SMILES notation for 4-(1H-pyrrol-3-yl)-1,3-thiazole?
The canonical SMILES for 4-(1H-pyrrol-3-yl)-1,3-thiazole is c1cc(-c2cscn2)c[nH]1.
What is the InChIKey of 4-(1H-pyrrol-3-yl)-1,3-thiazole?
The InChIKey is WXVOWZMMISSPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S/c1-2-8-3-6(1)7-4-10-5-9-7/h1-5,8H.
What are the key properties of 4-(1H-pyrrol-3-yl)-1,3-thiazole?
4-(1H-pyrrol-3-yl)-1,3-thiazole has a molecular weight of 150.21 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrrol-3-yl)-1,3-thiazole is sourced from PubChem (CID 118537050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).