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

C9H13N5OS — CID 106961342

IUPAC5-(2-aminoethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESNCCc1nnc(NCCc2cscn2)o1
InChIInChI=1S/C9H13N5OS/c10-3-1-8-13-14-9(15-8)11-4-2-7-5-16-6-12-7/h5-6H,1-4,10H2,(H,11,14)
InChIKeyGAFAUNCKTOFRCU-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.68
Rot. Bonds6

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

5-(2-aminoethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106961342) has the molecular formula C9H13N5OS and a molecular weight of 239.30 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106961342
Molecular FormulaC9H13N5OS
Molecular Weight239.30 g/mol
Exact Mass239.08
IUPAC Name5-(2-aminoethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESNCCc1nnc(NCCc2cscn2)o1
InChIInChI=1S/C9H13N5OS/c10-3-1-8-13-14-9(15-8)11-4-2-7-5-16-6-12-7/h5-6H,1-4,10H2,(H,11,14)
InChIKeyGAFAUNCKTOFRCU-UHFFFAOYSA-N
XLogP0.68
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2-aminoethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106425031
2,6-difluoro-1-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine
CID 63830219
5-(2-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106413138
3,6-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-5-amine
CID 81035750
2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-ethylethanesulfonamide
CID 114176109
3-fluoro-1-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,2-diamine
CID 63829324
5-(2-aminoethyl)-N-[2-(3-methylbutoxy)ethyl]-1,3,4-oxadiazol-2-amine
CID 106959660
5-propyl-4-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-4,6-diamine
CID 80846566
4,5-dimethyl-2-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,2-diamine
CID 114281261
6-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2,6-diamine
CID 80647285
4-[2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]aniline
CID 63825390
6-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide
CID 63826078

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,4-oxadiazol-2-amine (CID 106961342) is 5-(2-aminoethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,4-oxadiazol-2-amine is NCCc1nnc(NCCc2cscn2)o1.
What is the InChIKey of 5-(2-aminoethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is GAFAUNCKTOFRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5OS/c10-3-1-8-13-14-9(15-8)11-4-2-7-5-16-6-12-7/h5-6H,1-4,10H2,(H,11,14).
What are the key properties of 5-(2-aminoethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,4-oxadiazol-2-amine?
5-(2-aminoethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 239.30 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106961342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).