1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]pyrazol-3-amine

C12H18N6S — CID 63318325

IUPAC1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]pyrazol-3-amine
SMILESNc1ccn(CCN2CCN(c3nccs3)CC2)n1
InChIInChI=1S/C12H18N6S/c13-11-1-3-18(15-11)9-6-16-4-7-17(8-5-16)12-14-2-10-19-12/h1-3,10H,4-9H2,(H2,13,15)
InChIKeyHZBUISRMDCOGLJ-UHFFFAOYSA-N
MW278.38 g/mol
LogP0.74
Rot. Bonds4

About 1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]pyrazol-3-amine

1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]pyrazol-3-amine (PubChem CID 63318325) has the molecular formula C12H18N6S and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]pyrazol-3-amine
PubChem CID63318325
Molecular FormulaC12H18N6S
Molecular Weight278.38 g/mol
Exact Mass278.13
IUPAC Name1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]pyrazol-3-amine
SMILESNc1ccn(CCN2CCN(c3nccs3)CC2)n1
InChIInChI=1S/C12H18N6S/c13-11-1-3-18(15-11)9-6-16-4-7-17(8-5-16)12-14-2-10-19-12/h1-3,10H,4-9H2,(H2,13,15)
InChIKeyHZBUISRMDCOGLJ-UHFFFAOYSA-N
XLogP0.74
TPSA63.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(2-bromoethyl)piperazin-1-yl]-1,3-thiazole
CID 61288747
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]pyrazol-3-amine
CID 63318148
2-[4-(3-chloropropyl)piperazin-1-yl]-1,3-thiazole
CID 15743929
1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]triazole-4-carboxylic acid
CID 29082664
2-[4-[2-(5-fluorobenzimidazol-1-yl)ethyl]piperazin-1-yl]-1,3-thiazole
CID 126858355
[5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]methanamine
CID 62423654
2-fluoro-3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]aniline
CID 107347197
[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]hydrazine
CID 62471387
1-(4-methylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanamine
CID 106313009
5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanehydrazide
CID 63568871
3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propane-1-sulfonic acid
CID 88596257
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 60885531

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]pyrazol-3-amine?
The IUPAC name of 1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]pyrazol-3-amine (CID 63318325) is 1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]pyrazol-3-amine.
What is the SMILES notation for 1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]pyrazol-3-amine?
The canonical SMILES for 1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]pyrazol-3-amine is Nc1ccn(CCN2CCN(c3nccs3)CC2)n1.
What is the InChIKey of 1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]pyrazol-3-amine?
The InChIKey is HZBUISRMDCOGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6S/c13-11-1-3-18(15-11)9-6-16-4-7-17(8-5-16)12-14-2-10-19-12/h1-3,10H,4-9H2,(H2,13,15).
What are the key properties of 1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]pyrazol-3-amine?
1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]pyrazol-3-amine has a molecular weight of 278.38 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]pyrazol-3-amine is sourced from PubChem (CID 63318325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).