3-amino-5-[4-(4-chlorophenyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile

C14H14ClN5S — CID 103380964

IUPAC3-amino-5-[4-(4-chlorophenyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(N)nsc1N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H14ClN5S/c15-10-1-3-11(4-2-10)19-5-7-20(8-6-19)14-12(9-16)13(17)18-21-14/h1-4H,5-8H2,(H2,17,18)
InChIKeyPPFXVWUOMZVZRQ-UHFFFAOYSA-N
MW319.82 g/mol
LogP2.58
Rot. Bonds2

About 3-amino-5-[4-(4-chlorophenyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile

3-amino-5-[4-(4-chlorophenyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile (PubChem CID 103380964) has the molecular formula C14H14ClN5S and a molecular weight of 319.82 g/mol. Its IUPAC name is 3-amino-5-[4-(4-chlorophenyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[4-(4-chlorophenyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile
PubChem CID103380964
Molecular FormulaC14H14ClN5S
Molecular Weight319.82 g/mol
Exact Mass319.07
IUPAC Name3-amino-5-[4-(4-chlorophenyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(N)nsc1N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H14ClN5S/c15-10-1-3-11(4-2-10)19-5-7-20(8-6-19)14-12(9-16)13(17)18-21-14/h1-4H,5-8H2,(H2,17,18)
InChIKeyPPFXVWUOMZVZRQ-UHFFFAOYSA-N
XLogP2.58
TPSA69.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-(4-cyclopentylpiperazin-1-yl)-1,2-thiazole-4-carbonitrile
CID 103381604
3-amino-5-(4-methyl-3-oxopiperazin-1-yl)-1,2-thiazole-4-carbonitrile
CID 103382124
5-amino-3-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrazole-4-carbonitrile
CID 10425046
3-amino-5-(4-ethylazepan-1-yl)-1,2-thiazole-4-carbonitrile
CID 103382060
3-amino-5-(3,5-dimethylpiperidin-1-yl)-1,2-thiazole-4-carbonitrile
CID 103381020
3-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]-1,2-thiazole-4-carbonitrile
CID 103382102
5-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-2-amine
CID 43318150
3-[4-(4-chlorophenyl)piperazin-1-yl]benzonitrile
CID 102815269
1-(4-chlorophenyl)-6-oxo-4-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile
CID 10453088
1-(2-chloroethyl)-4-(4-chlorophenyl)piperazine;dihydrochloride
CID 11461707
2-bromo-5-[4-(4-chlorophenyl)piperazin-1-yl]-1,3,4-thiadiazole
CID 64623867
2-[4-(4-chlorophenyl)piperazin-1-yl]-5-nitrobenzonitrile
CID 17221369

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[4-(4-chlorophenyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-amino-5-[4-(4-chlorophenyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile (CID 103380964) is 3-amino-5-[4-(4-chlorophenyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-[4-(4-chlorophenyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-[4-(4-chlorophenyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile is N#Cc1c(N)nsc1N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 3-amino-5-[4-(4-chlorophenyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile?
The InChIKey is PPFXVWUOMZVZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5S/c15-10-1-3-11(4-2-10)19-5-7-20(8-6-19)14-12(9-16)13(17)18-21-14/h1-4H,5-8H2,(H2,17,18).
What are the key properties of 3-amino-5-[4-(4-chlorophenyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile?
3-amino-5-[4-(4-chlorophenyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile has a molecular weight of 319.82 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[4-(4-chlorophenyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 103380964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).