3-amino-5-(4-cyclopentylpiperazin-1-yl)-1,2-thiazole-4-carbonitrile

C13H19N5S — CID 103381604

IUPAC3-amino-5-(4-cyclopentylpiperazin-1-yl)-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(N)nsc1N1CCN(C2CCCC2)CC1
InChIInChI=1S/C13H19N5S/c14-9-11-12(15)16-19-13(11)18-7-5-17(6-8-18)10-3-1-2-4-10/h10H,1-8H2,(H2,15,16)
InChIKeyQAIQWFRBSCXUCN-UHFFFAOYSA-N
MW277.40 g/mol
LogP1.66
Rot. Bonds2

About 3-amino-5-(4-cyclopentylpiperazin-1-yl)-1,2-thiazole-4-carbonitrile

3-amino-5-(4-cyclopentylpiperazin-1-yl)-1,2-thiazole-4-carbonitrile (PubChem CID 103381604) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is 3-amino-5-(4-cyclopentylpiperazin-1-yl)-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(4-cyclopentylpiperazin-1-yl)-1,2-thiazole-4-carbonitrile
PubChem CID103381604
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC Name3-amino-5-(4-cyclopentylpiperazin-1-yl)-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(N)nsc1N1CCN(C2CCCC2)CC1
InChIInChI=1S/C13H19N5S/c14-9-11-12(15)16-19-13(11)18-7-5-17(6-8-18)10-3-1-2-4-10/h10H,1-8H2,(H2,15,16)
InChIKeyQAIQWFRBSCXUCN-UHFFFAOYSA-N
XLogP1.66
TPSA69.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-(4-ethylazepan-1-yl)-1,2-thiazole-4-carbonitrile
CID 103382060
3-amino-5-[4-(4-chlorophenyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile
CID 103380964
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
3-amino-5-(4-methyl-3-oxopiperazin-1-yl)-1,2-thiazole-4-carbonitrile
CID 103382124
5-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-3-chloro-1,2-thiazole-4-carbonitrile
CID 95622923
3-amino-5-(3-ethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile
CID 103379570
3-amino-5-[cyclohexyl(methyl)amino]-1,2-thiazole-4-carbonitrile
CID 103381202
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-cyclopropylthiophene-2-carbonitrile
CID 103505429
4-amino-2-[(4-cyclopentylpiperazin-1-yl)methyl]pyrimidine-5-carbonitrile
CID 166297069
3-chloro-2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carbonitrile
CID 107057553
4-methoxy-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine
CID 103381799

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-cyclopentylpiperazin-1-yl)-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-amino-5-(4-cyclopentylpiperazin-1-yl)-1,2-thiazole-4-carbonitrile (CID 103381604) is 3-amino-5-(4-cyclopentylpiperazin-1-yl)-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-(4-cyclopentylpiperazin-1-yl)-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-(4-cyclopentylpiperazin-1-yl)-1,2-thiazole-4-carbonitrile is N#Cc1c(N)nsc1N1CCN(C2CCCC2)CC1.
What is the InChIKey of 3-amino-5-(4-cyclopentylpiperazin-1-yl)-1,2-thiazole-4-carbonitrile?
The InChIKey is QAIQWFRBSCXUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c14-9-11-12(15)16-19-13(11)18-7-5-17(6-8-18)10-3-1-2-4-10/h10H,1-8H2,(H2,15,16).
What are the key properties of 3-amino-5-(4-cyclopentylpiperazin-1-yl)-1,2-thiazole-4-carbonitrile?
3-amino-5-(4-cyclopentylpiperazin-1-yl)-1,2-thiazole-4-carbonitrile has a molecular weight of 277.40 g/mol, XLogP of 1.66, 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-cyclopentylpiperazin-1-yl)-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 103381604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).