4-methoxy-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]benzonitrile

C15H16N4OS — CID 81297131

IUPAC4-methoxy-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]benzonitrile
SMILESCOc1ccc(C#N)c(N2CCN(c3nccs3)CC2)c1
InChIInChI=1S/C15H16N4OS/c1-20-13-3-2-12(11-16)14(10-13)18-5-7-19(8-6-18)15-17-4-9-21-15/h2-4,9-10H,5-8H2,1H3
InChIKeyOEZCWXHSSYZVCY-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.35
Rot. Bonds3

About 4-methoxy-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]benzonitrile

4-methoxy-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]benzonitrile (PubChem CID 81297131) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 4-methoxy-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name4-methoxy-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]benzonitrile
PubChem CID81297131
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name4-methoxy-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]benzonitrile
SMILESCOc1ccc(C#N)c(N2CCN(c3nccs3)CC2)c1
InChIInChI=1S/C15H16N4OS/c1-20-13-3-2-12(11-16)14(10-13)18-5-7-19(8-6-18)15-17-4-9-21-15/h2-4,9-10H,5-8H2,1H3
InChIKeyOEZCWXHSSYZVCY-UHFFFAOYSA-N
XLogP2.35
TPSA52.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,4-diazepan-1-yl)-4-methoxybenzonitrile
CID 81297511
2-(2,6-dimethylthiomorpholin-4-yl)-4-methoxybenzonitrile
CID 81305851
1-(4-methoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-ol
CID 56794621
3-[4-(2-cyano-5-methoxyphenyl)piperazin-1-yl]propanoic acid
CID 81296330
2-(3,5-dioxopiperazin-1-yl)-4-methoxybenzonitrile
CID 81306288
2-[4-(2-cyano-5-methoxyphenyl)-1,4-diazepan-1-yl]acetic acid
CID 81296549
methyl 5-nitro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]benzoate
CID 36597297
4-chloro-2-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]benzonitrile
CID 133476408
3-(3,5-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 41433862
2-(3-hydroxypiperidin-1-yl)-4-methoxybenzonitrile
CID 81299499
2-(5-amino-1,3-dihydroisoindol-2-yl)-4-methoxybenzonitrile
CID 81304180
[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 95274950

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]benzonitrile?
The IUPAC name of 4-methoxy-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]benzonitrile (CID 81297131) is 4-methoxy-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]benzonitrile.
What is the SMILES notation for 4-methoxy-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]benzonitrile?
The canonical SMILES for 4-methoxy-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]benzonitrile is COc1ccc(C#N)c(N2CCN(c3nccs3)CC2)c1.
What is the InChIKey of 4-methoxy-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]benzonitrile?
The InChIKey is OEZCWXHSSYZVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-20-13-3-2-12(11-16)14(10-13)18-5-7-19(8-6-18)15-17-4-9-21-15/h2-4,9-10H,5-8H2,1H3.
What are the key properties of 4-methoxy-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]benzonitrile?
4-methoxy-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]benzonitrile has a molecular weight of 300.39 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]benzonitrile is sourced from PubChem (CID 81297131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).