4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine

C12H17N5OS — CID 116808104

IUPAC4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1nsc(N)c1-c1nc(N2CCCCCC2)no1
InChIInChI=1S/C12H17N5OS/c1-8-9(10(13)19-16-8)11-14-12(15-18-11)17-6-4-2-3-5-7-17/h2-7,13H2,1H3
InChIKeyVFWJUQBNKILFGW-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.46
Rot. Bonds2

About 4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine

4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine (PubChem CID 116808104) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound Name4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
PubChem CID116808104
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1nsc(N)c1-c1nc(N2CCCCCC2)no1
InChIInChI=1S/C12H17N5OS/c1-8-9(10(13)19-16-8)11-14-12(15-18-11)17-6-4-2-3-5-7-17/h2-7,13H2,1H3
InChIKeyVFWJUQBNKILFGW-UHFFFAOYSA-N
XLogP2.46
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine
CID 114916062
3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 116806756
[4-methyl-5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine
CID 116807115
4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 116808037
4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
CID 79391770
4,5-dimethyl-3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
CID 116807514
3-pyrrolidin-1-yl-5-(2,3,5,6-tetrafluoro-4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
CID 101107635
3-methyl-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine
CID 79390914
4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
CID 116703323
2,4-dimethyl-6-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)aniline
CID 116806836
4-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
CID 79392513
6-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 116808091

Frequently Asked Questions

What is the IUPAC name of 4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine?
The IUPAC name of 4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine (CID 116808104) is 4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine.
What is the SMILES notation for 4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine?
The canonical SMILES for 4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine is Cc1nsc(N)c1-c1nc(N2CCCCCC2)no1.
What is the InChIKey of 4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine?
The InChIKey is VFWJUQBNKILFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-8-9(10(13)19-16-8)11-14-12(15-18-11)17-6-4-2-3-5-7-17/h2-7,13H2,1H3.
What are the key properties of 4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine?
4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine has a molecular weight of 279.37 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 116808104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).