1-[4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine

C14H20N4OS — CID 66373866

IUPAC1-[4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine
SMILESCC(N)c1nc(-c2nc(C3CCCCCC3)no2)cs1
InChIInChI=1S/C14H20N4OS/c1-9(15)14-16-11(8-20-14)13-17-12(18-19-13)10-6-4-2-3-5-7-10/h8-10H,2-7,15H2,1H3
InChIKeyAZSHGJWOVDFFHG-UHFFFAOYSA-N
MW292.41 g/mol
LogP3.65
Rot. Bonds3

About 1-[4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine

1-[4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 66373866) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 1-[4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine
PubChem CID66373866
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name1-[4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine
SMILESCC(N)c1nc(-c2nc(C3CCCCCC3)no2)cs1
InChIInChI=1S/C14H20N4OS/c1-9(15)14-16-11(8-20-14)13-17-12(18-19-13)10-6-4-2-3-5-7-10/h8-10H,2-7,15H2,1H3
InChIKeyAZSHGJWOVDFFHG-UHFFFAOYSA-N
XLogP3.65
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine
CID 66374418
1-[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 79078237
5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 116799668
1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine
CID 66375198
5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-3-carboxylic acid
CID 112632032
4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 55116401
3-[5-(2-cyclohexyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]thiolane 1,1-dioxide
CID 128847657
1-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 116807673
1-[4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 116741420
3-[5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921033
4-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 65400403
1-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine
CID 66373078

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 1-[4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine (CID 66373866) is 1-[4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 1-[4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine is CC(N)c1nc(-c2nc(C3CCCCCC3)no2)cs1.
What is the InChIKey of 1-[4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is AZSHGJWOVDFFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-9(15)14-16-11(8-20-14)13-17-12(18-19-13)10-6-4-2-3-5-7-10/h8-10H,2-7,15H2,1H3.
What are the key properties of 1-[4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine?
1-[4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 292.41 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 66373866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).