2-[4-(1H-pyrazol-4-yl)piperazin-1-yl]-1,3-thiazole-5-carboxamide

C11H14N6OS — CID 175864765

IUPAC2-[4-(1H-pyrazol-4-yl)piperazin-1-yl]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(N2CCN(c3cn[nH]c3)CC2)s1
InChIInChI=1S/C11H14N6OS/c12-10(18)9-7-13-11(19-9)17-3-1-16(2-4-17)8-5-14-15-6-8/h5-7H,1-4H2,(H2,12,18)(H,14,15)
InChIKeyYXDCMNKEPLYBFT-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.29
Rot. Bonds3

About 2-[4-(1H-pyrazol-4-yl)piperazin-1-yl]-1,3-thiazole-5-carboxamide

2-[4-(1H-pyrazol-4-yl)piperazin-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 175864765) has the molecular formula C11H14N6OS and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-[4-(1H-pyrazol-4-yl)piperazin-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(1H-pyrazol-4-yl)piperazin-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID175864765
Molecular FormulaC11H14N6OS
Molecular Weight278.34 g/mol
Exact Mass278.09
IUPAC Name2-[4-(1H-pyrazol-4-yl)piperazin-1-yl]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(N2CCN(c3cn[nH]c3)CC2)s1
InChIInChI=1S/C11H14N6OS/c12-10(18)9-7-13-11(19-9)17-3-1-16(2-4-17)8-5-14-15-6-8/h5-7H,1-4H2,(H2,12,18)(H,14,15)
InChIKeyYXDCMNKEPLYBFT-UHFFFAOYSA-N
XLogP0.29
TPSA91.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-pyridazin-3-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
CID 175864789
2-(3-aminoazetidin-1-yl)-1,3-thiazole-5-carboxamide
CID 134429966
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone
CID 62757449
1-(1H-pyrazol-4-yl)piperidine-4-carboxylic acid
CID 82647068
methyl-[4-(1H-pyrazol-4-yl)piperazin-1-yl]borinic acid
CID 153412321
1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanone
CID 62756912
2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 62753823
2-[4-[(3S)-3-phenyl-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
CID 134521790
methyl 2-thiomorpholin-4-yl-1,3-thiazole-5-carboxylate
CID 80571882
2,2,2-trifluoro-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone
CID 141447757
N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 83579539
2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 71208672

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-pyrazol-4-yl)piperazin-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[4-(1H-pyrazol-4-yl)piperazin-1-yl]-1,3-thiazole-5-carboxamide (CID 175864765) is 2-[4-(1H-pyrazol-4-yl)piperazin-1-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[4-(1H-pyrazol-4-yl)piperazin-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[4-(1H-pyrazol-4-yl)piperazin-1-yl]-1,3-thiazole-5-carboxamide is NC(=O)c1cnc(N2CCN(c3cn[nH]c3)CC2)s1.
What is the InChIKey of 2-[4-(1H-pyrazol-4-yl)piperazin-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is YXDCMNKEPLYBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6OS/c12-10(18)9-7-13-11(19-9)17-3-1-16(2-4-17)8-5-14-15-6-8/h5-7H,1-4H2,(H2,12,18)(H,14,15).
What are the key properties of 2-[4-(1H-pyrazol-4-yl)piperazin-1-yl]-1,3-thiazole-5-carboxamide?
2-[4-(1H-pyrazol-4-yl)piperazin-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-pyrazol-4-yl)piperazin-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 175864765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).