4-(4-phenoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole

C19H14N2OS — CID 3588152

IUPAC4-(4-phenoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole
SMILESc1ccc(Oc2ccc(-c3csc(-n4cccc4)n3)cc2)cc1
InChIInChI=1S/C19H14N2OS/c1-2-6-16(7-3-1)22-17-10-8-15(9-11-17)18-14-23-19(20-18)21-12-4-5-13-21/h1-14H
InChIKeyVKIUDVYPXFVZLB-UHFFFAOYSA-N
MW318.40 g/mol
LogP5.39
Rot. Bonds4

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

4-(4-phenoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole (PubChem CID 3588152) has the molecular formula C19H14N2OS and a molecular weight of 318.40 g/mol. Its IUPAC name is 4-(4-phenoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-phenoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole
PubChem CID3588152
Molecular FormulaC19H14N2OS
Molecular Weight318.40 g/mol
Exact Mass318.08
IUPAC Name4-(4-phenoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole
SMILESc1ccc(Oc2ccc(-c3csc(-n4cccc4)n3)cc2)cc1
InChIInChI=1S/C19H14N2OS/c1-2-6-16(7-3-1)22-17-10-8-15(9-11-17)18-14-23-19(20-18)21-12-4-5-13-21/h1-14H
InChIKeyVKIUDVYPXFVZLB-UHFFFAOYSA-N
XLogP5.39
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.40
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfanyl-4-(4-phenoxyphenyl)-1,3-thiazole
CID 21435671
4-(3-methoxy-4-phenylmethoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole
CID 142664701
4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
CID 14573306
1-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea
CID 1044223
4-(4-fluorophenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2858168
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole
CID 1477904
4-[4-(2-phenoxyethoxy)phenyl]-1,3-thiazole-2-carbaldehyde
CID 3676431
2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
CID 171114672
4-bromo-2-(4-phenoxyphenyl)-1,3-thiazole
CID 116892186
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 4111369
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 4286207
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]isoindole-1,3-dione
CID 3520878

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole?
The IUPAC name of 4-(4-phenoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole (CID 3588152) is 4-(4-phenoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole.
What is the SMILES notation for 4-(4-phenoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole?
The canonical SMILES for 4-(4-phenoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole is c1ccc(Oc2ccc(-c3csc(-n4cccc4)n3)cc2)cc1.
What is the InChIKey of 4-(4-phenoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole?
The InChIKey is VKIUDVYPXFVZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2OS/c1-2-6-16(7-3-1)22-17-10-8-15(9-11-17)18-14-23-19(20-18)21-12-4-5-13-21/h1-14H.
What are the key properties of 4-(4-phenoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole?
4-(4-phenoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole has a molecular weight of 318.40 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole is sourced from PubChem (CID 3588152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).