2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone

C14H24N4O2S — CID 110450611

IUPAC2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
SMILESNCCCc1nc(CC(=O)N2CCN(CCO)CC2)cs1
InChIInChI=1S/C14H24N4O2S/c15-3-1-2-13-16-12(11-21-13)10-14(20)18-6-4-17(5-7-18)8-9-19/h11,19H,1-10,15H2
InChIKeyGXFFQRBSXUPBGD-UHFFFAOYSA-N
MW312.44 g/mol
LogP-0.29
Rot. Bonds7

About 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone

2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone (PubChem CID 110450611) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
PubChem CID110450611
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
SMILESNCCCc1nc(CC(=O)N2CCN(CCO)CC2)cs1
InChIInChI=1S/C14H24N4O2S/c15-3-1-2-13-16-12(11-21-13)10-14(20)18-6-4-17(5-7-18)8-9-19/h11,19H,1-10,15H2
InChIKeyGXFFQRBSXUPBGD-UHFFFAOYSA-N
XLogP-0.29
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone (CID 110450611) is 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone is NCCCc1nc(CC(=O)N2CCN(CCO)CC2)cs1.
What is the InChIKey of 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The InChIKey is GXFFQRBSXUPBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c15-3-1-2-13-16-12(11-21-13)10-14(20)18-6-4-17(5-7-18)8-9-19/h11,19H,1-10,15H2.
What are the key properties of 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone has a molecular weight of 312.44 g/mol, XLogP of -0.29, 7 rotatable bonds, 2 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-(2-hydroxyethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110450611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).