5-(1-aminoethyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine

C11H17N5OS — CID 106964530

IUPAC5-(1-aminoethyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCc1cnc(C(C)Nc2nnc(C(C)N)o2)s1
InChIInChI=1S/C11H17N5OS/c1-4-8-5-13-10(18-8)7(3)14-11-16-15-9(17-11)6(2)12/h5-7H,4,12H2,1-3H3,(H,14,16)
InChIKeyQGRKHSUZJUYROL-UHFFFAOYSA-N
MW267.36 g/mol
LogP2.28
Rot. Bonds5

About 5-(1-aminoethyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine

5-(1-aminoethyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106964530) has the molecular formula C11H17N5OS and a molecular weight of 267.36 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106964530
Molecular FormulaC11H17N5OS
Molecular Weight267.36 g/mol
Exact Mass267.12
IUPAC Name5-(1-aminoethyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCc1cnc(C(C)Nc2nnc(C(C)N)o2)s1
InChIInChI=1S/C11H17N5OS/c1-4-8-5-13-10(18-8)7(3)14-11-16-15-9(17-11)6(2)12/h5-7H,4,12H2,1-3H3,(H,14,16)
InChIKeyQGRKHSUZJUYROL-UHFFFAOYSA-N
XLogP2.28
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(1-aminoethyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine with MolForge

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Related Compounds

5-[(tert-butylamino)methyl]-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106964534
4-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-methylpyrimidine-4,6-diamine
CID 113387588
5-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 115681173
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-iodopyrimidin-2-amine
CID 104844066
5-(1-aminoethyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine
CID 106967664
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114448693
2-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine
CID 103437286
6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxamide
CID 133335711
2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-N-methylpyrazine-2,6-diamine
CID 113387591
5-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 112697226
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylpentan-3-amine
CID 115726821
6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxylic acid
CID 113387337

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine (CID 106964530) is 5-(1-aminoethyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine is CCc1cnc(C(C)Nc2nnc(C(C)N)o2)s1.
What is the InChIKey of 5-(1-aminoethyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is QGRKHSUZJUYROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5OS/c1-4-8-5-13-10(18-8)7(3)14-11-16-15-9(17-11)6(2)12/h5-7H,4,12H2,1-3H3,(H,14,16).
What are the key properties of 5-(1-aminoethyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
5-(1-aminoethyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 267.36 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106964530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).