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

C13H19N3OS — CID 133351246

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine
SMILESCc1cc(C(C)Nc2nc(C(C)C)no2)c(C)s1
InChIInChI=1S/C13H19N3OS/c1-7(2)12-15-13(17-16-12)14-9(4)11-6-8(3)18-10(11)5/h6-7,9H,1-5H3,(H,14,15,16)
InChIKeyPCTCOLLAPKPUIC-UHFFFAOYSA-N
MW265.38 g/mol
LogP4.04
Rot. Bonds4

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

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine (PubChem CID 133351246) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine
PubChem CID133351246
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine
SMILESCc1cc(C(C)Nc2nc(C(C)C)no2)c(C)s1
InChIInChI=1S/C13H19N3OS/c1-7(2)12-15-13(17-16-12)14-9(4)11-6-8(3)18-10(11)5/h6-7,9H,1-5H3,(H,14,15,16)
InChIKeyPCTCOLLAPKPUIC-UHFFFAOYSA-N
XLogP4.04
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 65169277
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,6-dimethoxypyrimidin-2-amine
CID 115355042
3-propan-2-yl-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine
CID 133346270
2-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-benzoxazole-2,6-diamine
CID 79892758
4-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112726778
3,6-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,2,4-triazin-5-amine
CID 81037604
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 79237148
4-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80802390
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine
CID 43200633
3,5-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline
CID 43101504
4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 136974893
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methyl-1H-imidazol-2-amine
CID 106565436

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine (CID 133351246) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine is Cc1cc(C(C)Nc2nc(C(C)C)no2)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine?
The InChIKey is PCTCOLLAPKPUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-7(2)12-15-13(17-16-12)14-9(4)11-6-8(3)18-10(11)5/h6-7,9H,1-5H3,(H,14,15,16).
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine has a molecular weight of 265.38 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 133351246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).