4-phenyl-2-(1H-pyrrol-2-yl)-1,3-thiazole

C13H10N2S — CID 135407254

IUPAC4-phenyl-2-(1H-pyrrol-2-yl)-1,3-thiazole
SMILESc1ccc(-c2csc(-c3ccc[nH]3)n2)cc1
InChIInChI=1S/C13H10N2S/c1-2-5-10(6-3-1)12-9-16-13(15-12)11-7-4-8-14-11/h1-9,14H
InChIKeyNGKFDGMWOWNTSV-UHFFFAOYSA-N
MW226.30 g/mol
LogP3.81
Rot. Bonds2

About 4-phenyl-2-(1H-pyrrol-2-yl)-1,3-thiazole

4-phenyl-2-(1H-pyrrol-2-yl)-1,3-thiazole (PubChem CID 135407254) has the molecular formula C13H10N2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-phenyl-2-(1H-pyrrol-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-phenyl-2-(1H-pyrrol-2-yl)-1,3-thiazole
PubChem CID135407254
Molecular FormulaC13H10N2S
Molecular Weight226.30 g/mol
Exact Mass226.06
IUPAC Name4-phenyl-2-(1H-pyrrol-2-yl)-1,3-thiazole
SMILESc1ccc(-c2csc(-c3ccc[nH]3)n2)cc1
InChIInChI=1S/C13H10N2S/c1-2-5-10(6-3-1)12-9-16-13(15-12)11-7-4-8-14-11/h1-9,14H
InChIKeyNGKFDGMWOWNTSV-UHFFFAOYSA-N
XLogP3.81
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(1H-pyrrol-2-yl)-1,3-thiazole?
The IUPAC name of 4-phenyl-2-(1H-pyrrol-2-yl)-1,3-thiazole (CID 135407254) is 4-phenyl-2-(1H-pyrrol-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-phenyl-2-(1H-pyrrol-2-yl)-1,3-thiazole?
The canonical SMILES for 4-phenyl-2-(1H-pyrrol-2-yl)-1,3-thiazole is c1ccc(-c2csc(-c3ccc[nH]3)n2)cc1.
What is the InChIKey of 4-phenyl-2-(1H-pyrrol-2-yl)-1,3-thiazole?
The InChIKey is NGKFDGMWOWNTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2S/c1-2-5-10(6-3-1)12-9-16-13(15-12)11-7-4-8-14-11/h1-9,14H.
What are the key properties of 4-phenyl-2-(1H-pyrrol-2-yl)-1,3-thiazole?
4-phenyl-2-(1H-pyrrol-2-yl)-1,3-thiazole has a molecular weight of 226.30 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(1H-pyrrol-2-yl)-1,3-thiazole is sourced from PubChem (CID 135407254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).