N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]acetamide;hydrochloride

C15H23ClN6O2S — CID 120904420

IUPACN-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]acetamide;hydrochloride
SMILESCCc1nc(CN(C(C)=O)C2CCN(Cc3cnc(N)s3)C2)no1.Cl
InChIInChI=1S/C15H22N6O2S.ClH/c1-3-14-18-13(19-23-14)9-21(10(2)22)11-4-5-20(7-11)8-12-6-17-15(16)24-12;/h6,11H,3-5,7-9H2,1-2H3,(H2,16,17);1H
InChIKeyNBLVQIGQFXUXJB-UHFFFAOYSA-N
MW386.91 g/mol
LogP1.72
Rot. Bonds6

About N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]acetamide;hydrochloride

N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]acetamide;hydrochloride (PubChem CID 120904420) has the molecular formula C15H23ClN6O2S and a molecular weight of 386.91 g/mol. Its IUPAC name is N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]acetamide;hydrochloride
PubChem CID120904420
Molecular FormulaC15H23ClN6O2S
Molecular Weight386.91 g/mol
Exact Mass386.13
IUPAC NameN-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]acetamide;hydrochloride
SMILESCCc1nc(CN(C(C)=O)C2CCN(Cc3cnc(N)s3)C2)no1.Cl
InChIInChI=1S/C15H22N6O2S.ClH/c1-3-14-18-13(19-23-14)9-21(10(2)22)11-4-5-20(7-11)8-12-6-17-15(16)24-12;/h6,11H,3-5,7-9H2,1-2H3,(H2,16,17);1H
InChIKeyNBLVQIGQFXUXJB-UHFFFAOYSA-N
XLogP1.72
TPSA101.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.91
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]acetamide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]acetamide;hydrochloride?
The IUPAC name of N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]acetamide;hydrochloride (CID 120904420) is N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]acetamide;hydrochloride.
What is the SMILES notation for N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]acetamide;hydrochloride?
The canonical SMILES for N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]acetamide;hydrochloride is CCc1nc(CN(C(C)=O)C2CCN(Cc3cnc(N)s3)C2)no1.Cl.
What is the InChIKey of N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]acetamide;hydrochloride?
The InChIKey is NBLVQIGQFXUXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2S.ClH/c1-3-14-18-13(19-23-14)9-21(10(2)22)11-4-5-20(7-11)8-12-6-17-15(16)24-12;/h6,11H,3-5,7-9H2,1-2H3,(H2,16,17);1H.
What are the key properties of N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]acetamide;hydrochloride?
N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]acetamide;hydrochloride has a molecular weight of 386.91 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 120904420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).