2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone

C16H23N5OS — CID 110450808

IUPAC2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone
SMILESNCCCc1nc(CC(=O)N2CCC(n3cccn3)CC2)cs1
InChIInChI=1S/C16H23N5OS/c17-6-1-3-15-19-13(12-23-15)11-16(22)20-9-4-14(5-10-20)21-8-2-7-18-21/h2,7-8,12,14H,1,3-6,9-11,17H2
InChIKeyOZSVMNVBRBTHQV-UHFFFAOYSA-N
MW333.46 g/mol
LogP1.64
Rot. Bonds6

About 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone

2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone (PubChem CID 110450808) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone
PubChem CID110450808
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone
SMILESNCCCc1nc(CC(=O)N2CCC(n3cccn3)CC2)cs1
InChIInChI=1S/C16H23N5OS/c17-6-1-3-15-19-13(12-23-15)11-16(22)20-9-4-14(5-10-20)21-8-2-7-18-21/h2,7-8,12,14H,1,3-6,9-11,17H2
InChIKeyOZSVMNVBRBTHQV-UHFFFAOYSA-N
XLogP1.64
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
CID 110450716
1-[2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylic acid
CID 82547566
6-amino-1-(4-pyrazol-1-ylpiperidin-1-yl)hexan-1-one
CID 110482610
ethyl 4-[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]piperazine-1-carboxylate
CID 110450872
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 110450611
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1-(azepan-1-yl)ethanone
CID 82119937
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2-ethyl-1,3-thiazol-4-yl)ethanone
CID 119662595
methyl 1-[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
CID 82547502
ethyl 1-[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
CID 110450854
1-(4-pyrazol-1-ylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 110468074
ethyl 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetate
CID 107380154
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide
CID 82547664

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone (CID 110450808) is 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone is NCCCc1nc(CC(=O)N2CCC(n3cccn3)CC2)cs1.
What is the InChIKey of 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone?
The InChIKey is OZSVMNVBRBTHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c17-6-1-3-15-19-13(12-23-15)11-16(22)20-9-4-14(5-10-20)21-8-2-7-18-21/h2,7-8,12,14H,1,3-6,9-11,17H2.
What are the key properties of 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone?
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone has a molecular weight of 333.46 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 110450808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).