2-piperazin-1-yl-4-(1H-pyrrol-3-yl)-1,3-thiazole-5-carbonitrile

C12H13N5S — CID 116867260

IUPAC2-piperazin-1-yl-4-(1H-pyrrol-3-yl)-1,3-thiazole-5-carbonitrile
SMILESN#Cc1sc(N2CCNCC2)nc1-c1cc[nH]c1
InChIInChI=1S/C12H13N5S/c13-7-10-11(9-1-2-15-8-9)16-12(18-10)17-5-3-14-4-6-17/h1-2,8,14-15H,3-6H2
InChIKeyNYAJDEXPGANEAL-UHFFFAOYSA-N
MW259.34 g/mol
LogP1.42
Rot. Bonds2

About 2-piperazin-1-yl-4-(1H-pyrrol-3-yl)-1,3-thiazole-5-carbonitrile

2-piperazin-1-yl-4-(1H-pyrrol-3-yl)-1,3-thiazole-5-carbonitrile (PubChem CID 116867260) has the molecular formula C12H13N5S and a molecular weight of 259.34 g/mol. Its IUPAC name is 2-piperazin-1-yl-4-(1H-pyrrol-3-yl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-piperazin-1-yl-4-(1H-pyrrol-3-yl)-1,3-thiazole-5-carbonitrile
PubChem CID116867260
Molecular FormulaC12H13N5S
Molecular Weight259.34 g/mol
Exact Mass259.09
IUPAC Name2-piperazin-1-yl-4-(1H-pyrrol-3-yl)-1,3-thiazole-5-carbonitrile
SMILESN#Cc1sc(N2CCNCC2)nc1-c1cc[nH]c1
InChIInChI=1S/C12H13N5S/c13-7-10-11(9-1-2-15-8-9)16-12(18-10)17-5-3-14-4-6-17/h1-2,8,14-15H,3-6H2
InChIKeyNYAJDEXPGANEAL-UHFFFAOYSA-N
XLogP1.42
TPSA67.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole-5-carbonitrile
CID 68904389
4-(furan-2-yl)-5-methyl-2-piperazin-1-yl-1,3-thiazole
CID 62632333
4-(1H-pyrrol-3-yl)-1,3-thiazole-2,5-diamine
CID 82468326
5-piperazin-1-yl-3-(1H-pyrrol-3-yl)-1,2-oxazole
CID 136995804
1-(4-phenyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone
CID 52903593
7-(4-fluorophenyl)-2-piperazin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-amine
CID 53323334
5-methyl-2-piperazin-1-yl-4-(4-propylphenyl)-1,3-thiazole
CID 82162161
3-(5-piperazin-1-yl-1,2,4-thiadiazol-3-yl)benzonitrile
CID 71187188
2-piperazin-1-yl-1,3-benzothiazole;hydrochloride
CID 45286058
ethoxy-[4-(4-phenoxyphenyl)-2-piperazin-1-yl-1,3-thiazol-5-yl]methanol
CID 134443237
2-piperazin-1-yl-[1,3]thiazolo[4,5-b]pyridine
CID 70274211
4-amino-2-morpholin-4-yl-1,3-thiazole-5-carbonitrile
CID 21319839

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-4-(1H-pyrrol-3-yl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-piperazin-1-yl-4-(1H-pyrrol-3-yl)-1,3-thiazole-5-carbonitrile (CID 116867260) is 2-piperazin-1-yl-4-(1H-pyrrol-3-yl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-piperazin-1-yl-4-(1H-pyrrol-3-yl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-piperazin-1-yl-4-(1H-pyrrol-3-yl)-1,3-thiazole-5-carbonitrile is N#Cc1sc(N2CCNCC2)nc1-c1cc[nH]c1.
What is the InChIKey of 2-piperazin-1-yl-4-(1H-pyrrol-3-yl)-1,3-thiazole-5-carbonitrile?
The InChIKey is NYAJDEXPGANEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S/c13-7-10-11(9-1-2-15-8-9)16-12(18-10)17-5-3-14-4-6-17/h1-2,8,14-15H,3-6H2.
What are the key properties of 2-piperazin-1-yl-4-(1H-pyrrol-3-yl)-1,3-thiazole-5-carbonitrile?
2-piperazin-1-yl-4-(1H-pyrrol-3-yl)-1,3-thiazole-5-carbonitrile has a molecular weight of 259.34 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-4-(1H-pyrrol-3-yl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 116867260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).