N-(1,3-thiazol-2-yl)-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]propanamide

C14H21N7OS — CID 50978991

IUPACN-(1,3-thiazol-2-yl)-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(CCn2cncn2)CC1)Nc1nccs1
InChIInChI=1S/C14H21N7OS/c22-13(18-14-16-2-10-23-14)1-3-19-4-6-20(7-5-19)8-9-21-12-15-11-17-21/h2,10-12H,1,3-9H2,(H,16,18,22)
InChIKeyWTNPULWEAWAOFU-UHFFFAOYSA-N
MW335.44 g/mol
LogP0.38
Rot. Bonds7

About N-(1,3-thiazol-2-yl)-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]propanamide

N-(1,3-thiazol-2-yl)-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]propanamide (PubChem CID 50978991) has the molecular formula C14H21N7OS and a molecular weight of 335.44 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]propanamide
PubChem CID50978991
Molecular FormulaC14H21N7OS
Molecular Weight335.44 g/mol
Exact Mass335.15
IUPAC NameN-(1,3-thiazol-2-yl)-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(CCn2cncn2)CC1)Nc1nccs1
InChIInChI=1S/C14H21N7OS/c22-13(18-14-16-2-10-23-14)1-3-19-4-6-20(7-5-19)8-9-21-12-15-11-17-21/h2,10-12H,1,3-9H2,(H,16,18,22)
InChIKeyWTNPULWEAWAOFU-UHFFFAOYSA-N
XLogP0.38
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]propanamide (CID 50978991) is N-(1,3-thiazol-2-yl)-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]propanamide is O=C(CCN1CCN(CCn2cncn2)CC1)Nc1nccs1.
What is the InChIKey of N-(1,3-thiazol-2-yl)-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]propanamide?
The InChIKey is WTNPULWEAWAOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7OS/c22-13(18-14-16-2-10-23-14)1-3-19-4-6-20(7-5-19)8-9-21-12-15-11-17-21/h2,10-12H,1,3-9H2,(H,16,18,22).
What are the key properties of N-(1,3-thiazol-2-yl)-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]propanamide?
N-(1,3-thiazol-2-yl)-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]propanamide has a molecular weight of 335.44 g/mol, XLogP of 0.38, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 50978991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).