4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole-5-carbonitrile

C17H12N2OS — CID 12733556

IUPAC4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole-5-carbonitrile
SMILESCOc1ccc(-c2nc(-c3ccccc3)sc2C#N)cc1
InChIInChI=1S/C17H12N2OS/c1-20-14-9-7-12(8-10-14)16-15(11-18)21-17(19-16)13-5-3-2-4-6-13/h2-10H,1H3
InChIKeyMANYAQDQSSVPMD-UHFFFAOYSA-N
MW292.36 g/mol
LogP4.36
Rot. Bonds3

About 4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole-5-carbonitrile

4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole-5-carbonitrile (PubChem CID 12733556) has the molecular formula C17H12N2OS and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole-5-carbonitrile
PubChem CID12733556
Molecular FormulaC17H12N2OS
Molecular Weight292.36 g/mol
Exact Mass292.07
IUPAC Name4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole-5-carbonitrile
SMILESCOc1ccc(-c2nc(-c3ccccc3)sc2C#N)cc1
InChIInChI=1S/C17H12N2OS/c1-20-14-9-7-12(8-10-14)16-15(11-18)21-17(19-16)13-5-3-2-4-6-13/h2-10H,1H3
InChIKeyMANYAQDQSSVPMD-UHFFFAOYSA-N
XLogP4.36
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole-5-carbonitrile
CID 68904389
2,4-bis(4-methoxyphenyl)-6-oxo-1,3-thiazine-5-carbonitrile
CID 13472608
5-(chloromethyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole
CID 28709905
4-methylsulfanyl-2-phenyl-1,3-thiazole-5-carbonitrile
CID 174821348
2-[4-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)-5-[2-(methylmercurio)ethynyl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]ethynyl-methylmercury
CID 12048686
4-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 88568617
5-(4-chlorophenyl)sulfanyl-4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole
CID 4269272
3-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzonitrile
CID 167877413
4,6-bis(4-methoxyphenyl)-2-phenylpyridine-3-carbonitrile
CID 12575125
4-(4-bromophenyl)-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 78907377
1-methoxy-4-phenylbenzene cyanide
CID 159561637
2-(4-chlorophenyl)-N-(4-methoxyphenyl)-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-5-amine
CID 90362651

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole-5-carbonitrile (CID 12733556) is 4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole-5-carbonitrile is COc1ccc(-c2nc(-c3ccccc3)sc2C#N)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole-5-carbonitrile?
The InChIKey is MANYAQDQSSVPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2OS/c1-20-14-9-7-12(8-10-14)16-15(11-18)21-17(19-16)13-5-3-2-4-6-13/h2-10H,1H3.
What are the key properties of 4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole-5-carbonitrile?
4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole-5-carbonitrile has a molecular weight of 292.36 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 12733556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).