4-(1H-pyrrol-3-yl)-3H-1,3-thiazol-2-one

C7H6N2OS — CID 116966086

IUPAC4-(1H-pyrrol-3-yl)-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(-c2cc[nH]c2)cs1
InChIInChI=1S/C7H6N2OS/c10-7-9-6(4-11-7)5-1-2-8-3-5/h1-4,8H,(H,9,10)
InChIKeyIQRHTPDIWZIFLL-UHFFFAOYSA-N
MW166.20 g/mol
LogP1.43
Rot. Bonds1

About 4-(1H-pyrrol-3-yl)-3H-1,3-thiazol-2-one

4-(1H-pyrrol-3-yl)-3H-1,3-thiazol-2-one (PubChem CID 116966086) has the molecular formula C7H6N2OS and a molecular weight of 166.20 g/mol. Its IUPAC name is 4-(1H-pyrrol-3-yl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(1H-pyrrol-3-yl)-3H-1,3-thiazol-2-one
PubChem CID116966086
Molecular FormulaC7H6N2OS
Molecular Weight166.20 g/mol
Exact Mass166.02
IUPAC Name4-(1H-pyrrol-3-yl)-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(-c2cc[nH]c2)cs1
InChIInChI=1S/C7H6N2OS/c10-7-9-6(4-11-7)5-1-2-8-3-5/h1-4,8H,(H,9,10)
InChIKeyIQRHTPDIWZIFLL-UHFFFAOYSA-N
XLogP1.43
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrrol-3-yl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(1H-pyrrol-3-yl)-3H-1,3-thiazol-2-one (CID 116966086) is 4-(1H-pyrrol-3-yl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(1H-pyrrol-3-yl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(1H-pyrrol-3-yl)-3H-1,3-thiazol-2-one is O=c1[nH]c(-c2cc[nH]c2)cs1.
What is the InChIKey of 4-(1H-pyrrol-3-yl)-3H-1,3-thiazol-2-one?
The InChIKey is IQRHTPDIWZIFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS/c10-7-9-6(4-11-7)5-1-2-8-3-5/h1-4,8H,(H,9,10).
What are the key properties of 4-(1H-pyrrol-3-yl)-3H-1,3-thiazol-2-one?
4-(1H-pyrrol-3-yl)-3H-1,3-thiazol-2-one has a molecular weight of 166.20 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrrol-3-yl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 116966086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).