[4-methyl-5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine

C13H18N4OS — CID 65401214

IUPAC[4-methyl-5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
SMILESCc1nc(CN)sc1-c1nc(C2CCC(C)C2)no1
InChIInChI=1S/C13H18N4OS/c1-7-3-4-9(5-7)12-16-13(18-17-12)11-8(2)15-10(6-14)19-11/h7,9H,3-6,14H2,1-2H3
InChIKeyYYEQVYYJYFVMPE-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.86
Rot. Bonds3

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

[4-methyl-5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine (PubChem CID 65401214) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is [4-methyl-5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
PubChem CID65401214
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name[4-methyl-5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
SMILESCc1nc(CN)sc1-c1nc(C2CCC(C)C2)no1
InChIInChI=1S/C13H18N4OS/c1-7-3-4-9(5-7)12-16-13(18-17-12)11-8(2)15-10(6-14)19-11/h7,9H,3-6,14H2,1-2H3
InChIKeyYYEQVYYJYFVMPE-UHFFFAOYSA-N
XLogP2.86
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-methyl-5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine with MolForge

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Related Compounds

5-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65401023
5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65402043
3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65400222
[4-methyl-5-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
CID 63629547
5-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102790929
5-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazole-3-carboxamide
CID 102790239
5-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-amine
CID 80602727
[4-methyl-5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine
CID 116807115
[5-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]methanamine
CID 116703734
4-bromo-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65400419
4-chloro-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65401634
3,6-dichloro-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107050900

Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-methyl-5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine (CID 65401214) is [4-methyl-5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-methyl-5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-methyl-5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine is Cc1nc(CN)sc1-c1nc(C2CCC(C)C2)no1.
What is the InChIKey of [4-methyl-5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine?
The InChIKey is YYEQVYYJYFVMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-7-3-4-9(5-7)12-16-13(18-17-12)11-8(2)15-10(6-14)19-11/h7,9H,3-6,14H2,1-2H3.
What are the key properties of [4-methyl-5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine?
[4-methyl-5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine has a molecular weight of 278.38 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 65401214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).